{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T20:01:03Z","timestamp":1792785663315,"version":"4.5.0"},"reference-count":153,"publisher":"IOP Publishing","issue":"42","license":[{"start":{"date-parts":[[2026,10,20]],"date-time":"2026-10-20T00:00:00Z","timestamp":1792454400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2026,10,20]],"date-time":"2026-10-20T00:00:00Z","timestamp":1792454400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"name":"National Natural Science Foundation of China","award":["11605151"],"award-info":[{"award-number":["11605151"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["J. Phys.: Condens. Matter"],"published-print":{"date-parts":[[2026,10,23]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    The newly synthesized two-dimensional (2D) carbon nitride with the stoichiometric formula, C\n                    <jats:sub>3<\/jats:sub>\n                    N, has attracted extensive attention due to its unusual properties, including high stiffness, remarkable thermal stability and conductivity, enhanced interfacial chemical activity, and promising applications in energy storage and catalysis. Despite its graphene-like honeycomb lattice, C\n                    <jats:sub>3<\/jats:sub>\n                    N exhibits an intrinsic heterogeneous surface morphology where each phenyl ring is encircled by six nitrogen atoms, presenting a disrupted\n                    <jats:italic>\u03c0<\/jats:italic>\n                    -bond network, charge polarization, and a non-uniform potential surface. In this review, we summarize recent experimental progress and theoretical insights into the electronic, mechanical, thermal, and adsorption properties of 2D C\n                    <jats:sub>3<\/jats:sub>\n                    N and its derivatives, ranging from chemically functionalized C\n                    <jats:sub>3<\/jats:sub>\n                    N, doped C\n                    <jats:sub>3<\/jats:sub>\n                    N, C\n                    <jats:sub>3<\/jats:sub>\n                    N bilayers, and quantum dots to van der Waals heterostructures. We further discuss their potential applications in photocatalysis, electrocatalysis, battery electrodes, gas sensors, and biological systems.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/aeab1c","type":"journal-article","created":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T22:51:24Z","timestamp":1790117484000},"page":"423002","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Structures, properties, and applications of two-dimensional C\n                    <sub>3<\/sub>\n                    N and derivatives"],"prefix":"10.1088","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2687-1026","authenticated-orcid":true,"given":"Liang","family":"Zhao","sequence":"first","affiliation":[{"name":"Yangzhou University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"},{"role":"supervision","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-3995-4952","authenticated-orcid":true,"given":"Wenjie","family":"Huo","sequence":"additional","affiliation":[{"name":"Yangzhou University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"resources","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7582-4456","authenticated-orcid":true,"given":"Zhe","family":"Zhang","sequence":"additional","affiliation":[{"name":"Yangzhou University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"methodology","vocabulary":"credit"},{"role":"resources","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7822-5857","authenticated-orcid":true,"given":"Zonglin","family":"Gu","sequence":"additional","affiliation":[{"name":"Yangzhou University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"resources","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7315-7901","authenticated-orcid":false,"given":"Yusong","family":"Tu","sequence":"additional","affiliation":[{"name":"Yangzhou University"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"conceptualization","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"},{"role":"project-administration","vocabulary":"credit"}]}],"member":"266","published-online":{"date-parts":[[2026,10,20]]},"reference":[{"key":"cmaeab1cbib1","doi-asserted-by":"publisher","first-page":"666","DOI":"10.1126\/science.1102896","type":"journal-article","article-title":"Electric field effect in atomically thin carbon films","volume":"306","author":"Novoselov","year":"2004","journal-title":"Science"},{"key":"cmaeab1cbib2","doi-asserted-by":"publisher","first-page":"963","DOI":"10.1038\/nmat3439","type":"journal-article","article-title":"Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis","volume":"11","author":"Kibsgaard","year":"2012","journal-title":"Nat. Mater."},{"key":"cmaeab1cbib3","doi-asserted-by":"publisher","first-page":"4477","DOI":"10.1038\/ncomms5477","type":"journal-article","article-title":"Exfoliation of layered double hydroxides for enhanced oxygen evolution catalysis","volume":"5","author":"Song","year":"2014","journal-title":"Nat. Commun."},{"key":"cmaeab1cbib4","doi-asserted-by":"publisher","first-page":"1271","DOI":"10.1021\/nl903868w","type":"journal-article","article-title":"Emerging photoluminescence in monolayer MoS2","volume":"10","author":"Splendiani","year":"2010","journal-title":"Nano Lett."},{"key":"cmaeab1cbib5","doi-asserted-by":"publisher","first-page":"372","DOI":"10.1038\/nnano.2014.35","type":"journal-article","article-title":"Black phosphorus field-effect transistors","volume":"9","author":"Li","year":"2014","journal-title":"Nat. Nanotechnol."},{"key":"cmaeab1cbib6","doi-asserted-by":"publisher","first-page":"380","DOI":"10.1038\/nature24044","type":"journal-article","article-title":"Ion sieving in graphene oxide membranes via cationic control of interlayer spacing","volume":"550","author":"Chen","year":"2017","journal-title":"Nature"},{"key":"cmaeab1cbib7","doi-asserted-by":"publisher","first-page":"594","DOI":"10.1038\/nnano.2013.125","type":"journal-article","article-title":"Destructive extraction of phospholipids from escherichia coli membranes by graphene nanosheets","volume":"8","author":"Tu","year":"2013","journal-title":"Nat. Nanotechnol."},{"key":"cmaeab1cbib8","doi-asserted-by":"publisher","first-page":"183","DOI":"10.1038\/nmat1849","type":"journal-article","article-title":"The rise of graphene","volume":"6","author":"Geim","year":"2007","journal-title":"Nat. Mater."},{"key":"cmaeab1cbib9","doi-asserted-by":"publisher","first-page":"43","DOI":"10.1038\/nmat4477","type":"journal-article","article-title":"Fast growth of inch-sized single-crystalline graphene from a controlled single nucleus on Cu\u2013Ni alloys","volume":"15","author":"Wu","year":"2016","journal-title":"Nat. Mater."},{"key":"cmaeab1cbib10","doi-asserted-by":"publisher","first-page":"338","DOI":"10.1038\/nature10680","type":"journal-article","article-title":"A role for graphene in silicon-based semiconductor devices","volume":"479","author":"Kim","year":"2011","journal-title":"Nature"},{"key":"cmaeab1cbib11","doi-asserted-by":"publisher","first-page":"487","DOI":"10.1038\/nnano.2010.89","type":"journal-article","article-title":"Graphene transistors","volume":"5","author":"Schwierz","year":"2010","journal-title":"Nat. Nanotechnol."},{"key":"cmaeab1cbib12","doi-asserted-by":"publisher","first-page":"654","DOI":"10.1038\/nnano.2008.268","type":"journal-article","article-title":"Current saturation in zero-bandgap, top-gated graphene field-effect transistors","volume":"3","author":"Meric","year":"2008","journal-title":"Nat. Nanotechnol."},{"key":"cmaeab1cbib13","doi-asserted-by":"publisher","first-page":"4598","DOI":"10.1039\/c4nr01600a","type":"journal-article","article-title":"Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems","volume":"7","author":"Ferrari","year":"2015","journal-title":"Nanoscale"},{"key":"cmaeab1cbib14","doi-asserted-by":"publisher","first-page":"841","DOI":"10.1126\/science.245.4920.841","type":"journal-article","article-title":"Prediction of new low compressibility solids","volume":"245","author":"Liu","year":"1989","journal-title":"Science"},{"key":"cmaeab1cbib15","doi-asserted-by":"publisher","first-page":"17","DOI":"10.1039\/D0TA07437C","type":"journal-article","article-title":"Novel two-dimensional crystalline carbon nitrides beyond g-C3N4: structure and applications","volume":"9","author":"Tan","year":"2021","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib16","doi-asserted-by":"publisher","first-page":"241","DOI":"10.1016\/S0079-6425(97)00027-3","type":"journal-article","article-title":"Research on carbon nitrides","volume":"41","author":"Wang","year":"1997","journal-title":"Prog. Mater. Sci."},{"key":"cmaeab1cbib17","doi-asserted-by":"publisher","first-page":"53","DOI":"10.1126\/science.271.5245.53","type":"journal-article","article-title":"Low-compressibility carbon nitrides","volume":"271","author":"Teter","year":"1996","journal-title":"Science"},{"key":"cmaeab1cbib18","doi-asserted-by":"publisher","first-page":"1789","DOI":"10.1002\/adma.200401756","type":"journal-article","article-title":"Synthesis of g\u2010C3N4 nanoparticles in mesoporous silica host matrices","volume":"17","author":"Groenewolt","year":"2005","journal-title":"Adv. Mater."},{"key":"cmaeab1cbib19","doi-asserted-by":"publisher","first-page":"4467","DOI":"10.1002\/anie.200600412","type":"journal-article","article-title":"Chemical synthesis of mesoporous carbon nitrides using hard templates and their use as a metal-free catalyst for Friedel-Crafts reaction of benzene","volume":"45","author":"Goettmann","year":"2006","journal-title":"Angew. Chem., Int. Ed."},{"key":"cmaeab1cbib20","doi-asserted-by":"publisher","first-page":"970","DOI":"10.1126\/science.aaa3145","type":"journal-article","article-title":"Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway","volume":"347","author":"Liu","year":"2015","journal-title":"Science"},{"key":"cmaeab1cbib21","doi-asserted-by":"publisher","first-page":"9870","DOI":"10.1038\/srep09870","type":"journal-article","article-title":"The phase diagram and hardness of carbon nitrides","volume":"5","author":"Dong","year":"2015","journal-title":"Sci. Rep."},{"key":"cmaeab1cbib22","doi-asserted-by":"publisher","DOI":"10.1039\/c2cp41694h","type":"journal-article","article-title":"A novel low compressible and superhard carbon nitride: body-centered tetragonal CN2","volume":"14","author":"Li","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"key":"cmaeab1cbib23","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP04832J","type":"journal-article","article-title":"A first-principles study of orthorhombic CN as a potential superhard material","volume":"17","author":"Tang","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"cmaeab1cbib24","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.80.174111","type":"journal-article","article-title":"Carbon nitride: ab initio investigation of carbon-rich phases","volume":"80","author":"Hart","year":"2009","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib25","doi-asserted-by":"publisher","first-page":"1001","DOI":"10.1515\/zna-2015-0270","type":"journal-article","article-title":"A new superhard phase of C3N2 polymorphs","volume":"70","author":"Wei","year":"2015","journal-title":"Z. Naturforsch. A"},{"key":"cmaeab1cbib26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.5b10978","type":"journal-article","article-title":"Prediction of a superhard carbon-rich C\u2013N compound comparable to diamond","volume":"119","author":"Hao","year":"2015","journal-title":"J. Phys. Chem. C"},{"key":"cmaeab1cbib27","doi-asserted-by":"publisher","first-page":"53","DOI":"10.1016\/S0009-2614(00)00539-X","type":"journal-article","article-title":"What are the possible structures for CNx compounds? The example of C3N","volume":"325","author":"Sandr\u00e9","year":"2000","journal-title":"Chem. Phys. Lett."},{"key":"cmaeab1cbib28","doi-asserted-by":"publisher","first-page":"1869","DOI":"10.1016\/0379-6779(94)03084-J","type":"journal-article","article-title":"Electronic states of graphitic heterocompounds of carbon, boron and nitrogen","volume":"71","author":"Mizuno","year":"1995","journal-title":"Synth. Met."},{"key":"cmaeab1cbib29","doi-asserted-by":"publisher","first-page":"784","DOI":"10.1002\/pssb.201147319","type":"journal-article","article-title":"First\u2010principles studies of structural and electronic properties of layered C3N phases","volume":"249","author":"Hu","year":"2011","journal-title":"Phys. Status Solidi b"},{"key":"cmaeab1cbib30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevX.2.011003","type":"journal-article","article-title":"Ordered semiconducting nitrogen-graphene alloys","volume":"2","author":"Xiang","year":"2012","journal-title":"Phys. Rev. X"},{"key":"cmaeab1cbib31","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201605625","type":"journal-article","article-title":"C3N-a 2D crystalline, hole-free, tunable-narrow-bandgap semiconductor with ferromagnetic properties","volume":"29","author":"Yang","year":"2017","journal-title":"Adv. Mater."},{"key":"cmaeab1cbib32","doi-asserted-by":"publisher","first-page":"7414","DOI":"10.1073\/pnas.1605318113","type":"journal-article","article-title":"Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state","volume":"113","author":"Mahmood","year":"2016","journal-title":"Proc. Natl Acad. Sci. USA"},{"key":"cmaeab1cbib33","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.84.075417","type":"journal-article","article-title":"Effects of N doping on the electronic properties of a small carbon atomic chain with distinct sp2 terminations: a first-principles study","volume":"84","author":"Dos Santos","year":"2011","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib34","doi-asserted-by":"publisher","first-page":"214","DOI":"10.1016\/j.cplett.2009.09.074","type":"journal-article","article-title":"Improving platinum catalyst binding energy to graphene through nitrogen doping","volume":"481","author":"Groves","year":"2009","journal-title":"Chem. Phys. Lett."},{"key":"cmaeab1cbib35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.9b02047","type":"journal-article","article-title":"C3N monolayer: exploring the emerging of novel electronic and magnetic properties with adatom adsorption, functionalizations, electric field, charging, and strain","volume":"123","author":"Bafekry","year":"2019","journal-title":"J. Phys. Chem. C"},{"key":"cmaeab1cbib36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.7b04511","type":"journal-article","article-title":"Adsorption of metallic, metalloidic, and nonmetallic adatoms on two-dimensional C3N","volume":"121","author":"Makaremi","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"cmaeab1cbib37","doi-asserted-by":"publisher","DOI":"10.1063\/5.0202848","type":"journal-article","article-title":"Confined and spontaneously transformed oxidation structures due to the intrinsic heterogeneous surface morphology of C3N monolayer","volume":"160","author":"Luo","year":"2024","journal-title":"J. Chem. Phys."},{"key":"cmaeab1cbib38","doi-asserted-by":"publisher","first-page":"2993","DOI":"10.1557\/jmr.2017.228","type":"journal-article","article-title":"Computational characterization of monolayer C3N: a two-dimensional nitrogen-graphene crystal","volume":"32","author":"Zhou","year":"2017","journal-title":"J. Mater. Res."},{"key":"cmaeab1cbib39","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1016\/j.carbon.2017.03.029","type":"journal-article","article-title":"Ultra high stiffness and thermal conductivity of graphene like C3N","volume":"118","author":"Mortazavi","year":"2017","journal-title":"Carbon"},{"key":"cmaeab1cbib40","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsusc.2022.155912","type":"journal-article","article-title":"Oxygen dissociation on the C3N monolayer: a first-principles study","volume":"613","author":"Zhao","year":"2023","journal-title":"Appl. Surf. Sci."},{"key":"cmaeab1cbib41","doi-asserted-by":"publisher","DOI":"10.1039\/D3NR04239A","type":"journal-article","article-title":"Graphene oxide-based large-area dynamic covalent interfaces","volume":"15","author":"Situ","year":"2023","journal-title":"Nanoscale"},{"key":"cmaeab1cbib42","doi-asserted-by":"publisher","DOI":"10.1016\/j.comptc.2025.115439","type":"journal-article","article-title":"The hydrogen storage properties of C3N under an electric field","volume":"1253","author":"Yin","year":"2025","journal-title":"Comput. Theor. Chem."},{"key":"cmaeab1cbib43","doi-asserted-by":"publisher","DOI":"10.1039\/D0RA06534J","type":"journal-article","article-title":"First-principles study of two dimensional C(3)N and its derivatives","volume":"10","author":"Chen","year":"2020","journal-title":"RSC Adv."},{"key":"cmaeab1cbib44","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.91.045415","type":"journal-article","article-title":"Melting temperature of graphene","volume":"91","author":"Los","year":"2015","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib45","doi-asserted-by":"publisher","DOI":"10.1063\/5.0006775","type":"journal-article","article-title":"Highly tunable thermal conductivity of C3N under tensile strain: a first-principles study","volume":"127","author":"Taheri","year":"2020","journal-title":"J. Appl. Phys."},{"key":"cmaeab1cbib46","doi-asserted-by":"publisher","first-page":"194","DOI":"10.1016\/j.physe.2018.02.012","type":"journal-article","article-title":"First-principles study of intrinsic phononic thermal transport in monolayer C3N","volume":"99","author":"Gao","year":"2018","journal-title":"Physica E"},{"key":"cmaeab1cbib47","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevApplied.10.034046","type":"journal-article","article-title":"Tuning thermal transport in C3N monolayers by adding and removing carbon atoms","volume":"10","author":"Peng","year":"2018","journal-title":"Phys. Rev. Appl."},{"key":"cmaeab1cbib48","doi-asserted-by":"publisher","DOI":"10.1039\/C7TA05872A","type":"journal-article","article-title":"Ultralow lattice thermal conductivity in monolayer C3N as compared to graphene","volume":"5","author":"Kumar","year":"2017","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib49","doi-asserted-by":"publisher","first-page":"4301","DOI":"10.1039\/C7NR08458G","type":"journal-article","article-title":"Monolayer and bilayer polyaniline C3N: two-dimensional semiconductors with high thermal conductivity","volume":"10","author":"Hong","year":"2018","journal-title":"Nanoscale"},{"key":"cmaeab1cbib50","doi-asserted-by":"publisher","DOI":"10.1063\/1.5122678","type":"journal-article","article-title":"Comparative investigation of the mechanical, electrical and thermal transport properties in graphene-like C3B and C3N","volume":"126","author":"Wang","year":"2019","journal-title":"J. Appl. Phys."},{"key":"cmaeab1cbib51","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2019.110442","type":"journal-article","article-title":"Adsorption of molecules on C3N nanosheet: a first-principles calculations","volume":"526","author":"Bafekry","year":"2019","journal-title":"Chem. Phys. Lett."},{"key":"cmaeab1cbib52","doi-asserted-by":"publisher","first-page":"284","DOI":"10.1109\/LED.2017.2787788","type":"journal-article","article-title":"Superior selectivity and sensitivity of C3N sensor in probing toxic gases NO2 and SO2","volume":"39","author":"Cui","year":"2018","journal-title":"IEEE Electron Device Lett."},{"key":"cmaeab1cbib53","doi-asserted-by":"publisher","DOI":"10.1002\/aelm.201900459","type":"journal-article","article-title":"Exploiting the novel electronic and magnetic structure of C3N via functionalization and conformation","volume":"5","author":"Bafekry","year":"2019","journal-title":"Adv. Electron. Mater."},{"key":"cmaeab1cbib54","doi-asserted-by":"publisher","first-page":"403","DOI":"10.1038\/nchem.281","type":"journal-article","article-title":"New insights into the structure and reduction of graphite oxide","volume":"1","author":"Gao","year":"2009","journal-title":"Nat. Chem."},{"key":"cmaeab1cbib55","doi-asserted-by":"publisher","first-page":"1558","DOI":"10.1016\/j.carbon.2007.02.034","type":"journal-article","article-title":"Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide","volume":"45","author":"Stankovich","year":"2007","journal-title":"Carbon"},{"key":"cmaeab1cbib56","doi-asserted-by":"publisher","first-page":"2484","DOI":"10.1038\/srep02484","type":"journal-article","article-title":"Origin of the chemical and kinetic stability of graphene oxide","volume":"3","author":"Zhou","year":"2013","journal-title":"Sci. Rep."},{"key":"cmaeab1cbib57","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.82.125403","type":"journal-article","article-title":"Oxidation functional groups on graphene: structural and electronic properties","volume":"82","author":"Yan","year":"2010","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib58","doi-asserted-by":"publisher","first-page":"90","DOI":"10.1016\/j.carbon.2015.12.087","type":"journal-article","article-title":"New insights into the thermal reduction of graphene oxide: impact of oxygen clustering","volume":"100","author":"Kumar","year":"2016","journal-title":"Carbon"},{"key":"cmaeab1cbib59","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1038\/nchem.1820","type":"journal-article","article-title":"Scalable enhancement of graphene oxide properties by thermally driven phase transformation","volume":"6","author":"Kumar","year":"2014","journal-title":"Nat. Chem."},{"key":"cmaeab1cbib60","doi-asserted-by":"publisher","first-page":"4467","DOI":"10.1002\/adma.201000732","type":"journal-article","article-title":"Determination of the local chemical structure of graphene oxide and reduced graphene oxide","volume":"22","author":"Erickson","year":"2010","journal-title":"Adv. Mater."},{"key":"cmaeab1cbib61","doi-asserted-by":"publisher","first-page":"576","DOI":"10.1021\/nn3047378","type":"journal-article","article-title":"Graphene oxide. Origin of acidity, its instability in water, and a new dynamic structural model","volume":"7","author":"Dimiev","year":"2013","journal-title":"ACS Nano"},{"key":"cmaeab1cbib62","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.86.115406","type":"journal-article","article-title":"Two-dimensional nucleation and growth mechanism explaining graphene oxide structures","volume":"86","author":"Nguyen","year":"2012","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib63","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.86.205402","type":"journal-article","article-title":"Domain formation on oxidized graphene","volume":"86","author":"Topsakal","year":"2012","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib64","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201404144","type":"journal-article","article-title":"High correlation between oxidation loci on graphene oxide","volume":"53","author":"Yang","year":"2014","journal-title":"Angew. Chem., Int. Ed."},{"key":"cmaeab1cbib65","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.79.125435","type":"journal-article","article-title":"Density functional theory study of graphite oxide for different oxidation levels","volume":"79","author":"Lahaye","year":"2009","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib66","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.82.161406","type":"journal-article","article-title":"Stability of graphene oxide phases from first-principles calculations","volume":"82","author":"Wang","year":"2010","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib67","doi-asserted-by":"publisher","DOI":"10.1039\/D1NR03251H","type":"journal-article","article-title":"Unexpected spontaneous dynamic oxygen migration on carbon nanotubes","volume":"13","author":"Zhu","year":"2021","journal-title":"Nanoscale"},{"key":"cmaeab1cbib68","doi-asserted-by":"publisher","DOI":"10.1088\/0256-307X\/37\/6\/066803","type":"journal-article","article-title":"Water-mediated spontaneously dynamic oxygen migration on graphene oxide with structural adaptivity for biomolecule adsorption","volume":"37","author":"Tu","year":"2020","journal-title":"Chin. Phys. Lett."},{"key":"cmaeab1cbib69","doi-asserted-by":"publisher","first-page":"6062","DOI":"10.1021\/acs.chemmater.0c01512","type":"journal-article","article-title":"Unraveling the water-mediated proton conduction mechanism along the surface of graphene oxide","volume":"32","author":"Shi","year":"2020","journal-title":"Chem. Mater."},{"key":"cmaeab1cbib70","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsusc.2022.155512","type":"journal-article","article-title":"The solvent-driven impurity migration over graphene in the presence of electric field","volume":"611","author":"Alihosseini","year":"2023","journal-title":"Appl. Surf. Sci."},{"key":"cmaeab1cbib71","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.106.146802","type":"journal-article","article-title":"Gate-voltage control of oxygen diffusion on graphene","volume":"106","author":"Suarez","year":"2011","journal-title":"Phys. Rev. Lett."},{"key":"cmaeab1cbib72","doi-asserted-by":"publisher","first-page":"112","DOI":"10.1016\/j.jcis.2023.03.093","type":"journal-article","article-title":"Unexpectedly spontaneous water dissociation on graphene oxide supported by copper substrate","volume":"642","author":"Huang","year":"2023","journal-title":"J. Colloid Interface Sci."},{"key":"cmaeab1cbib73","doi-asserted-by":"publisher","first-page":"1082","DOI":"10.1039\/D2NH00041E","type":"journal-article","article-title":"Remarkably enhanced dynamic oxygen migration on graphene oxide supported by copper substrate","volume":"7","author":"Yan","year":"2022","journal-title":"Nanoscale Horiz"},{"key":"cmaeab1cbib74","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.9b03060","type":"journal-article","article-title":"Selective reduction mechanism of graphene oxide driven by the photon mode versus the thermal mode","volume":"13","author":"Hada","year":"2019","journal-title":"ACS Nano"},{"key":"cmaeab1cbib75","doi-asserted-by":"publisher","first-page":"560","DOI":"10.1016\/j.carbon.2014.12.054","type":"journal-article","article-title":"pH-driven, reversible epoxy ring opening\/closing in graphene oxide","volume":"84","author":"Taniguchi","year":"2015","journal-title":"Carbon"},{"key":"cmaeab1cbib76","doi-asserted-by":"publisher","first-page":"247","DOI":"10.1038\/s42254-022-00422-w","type":"journal-article","article-title":"Controlling covalent chemistry on graphene oxide","volume":"4","author":"Guo","year":"2022","journal-title":"Nat. Rev. Phys."},{"key":"cmaeab1cbib77","doi-asserted-by":"publisher","DOI":"10.1039\/D1CC04589J","type":"journal-article","article-title":"Reactive events at the graphene oxide\u2013water interface","volume":"57","author":"David","year":"2021","journal-title":"Chem. Commun."},{"key":"cmaeab1cbib78","doi-asserted-by":"publisher","first-page":"1566","DOI":"10.1038\/s41467-020-15381-y","type":"journal-article","article-title":"Structure and chemistry of graphene oxide in liquid water from first principles","volume":"11","author":"Mouhat","year":"2020","journal-title":"Nat. Commun."},{"key":"cmaeab1cbib79","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP01653D","type":"journal-article","article-title":"Repairing single and double atomic vacancies in a C3N monolayer with CO or NO molecules: a first-principles study","volume":"20","author":"Ma","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"cmaeab1cbib80","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.46.13756","type":"journal-article","article-title":"Energy fluctuations induced by the Nose thermostat","volume":"46","author":"Bylander","year":"1992","journal-title":"Phys. Rev. B"},{"key":"cmaeab1cbib81","doi-asserted-by":"publisher","first-page":"2635","DOI":"10.1063\/1.463940","type":"journal-article","article-title":"Nos\u00e9\u2013Hoover chains: the canonical ensemble via continuous dynamics","volume":"97","author":"Martyna","year":"1992","journal-title":"J. Chem. Phys."},{"key":"cmaeab1cbib82","doi-asserted-by":"publisher","first-page":"1161","DOI":"10.1021\/acs.jpclett.3c03491","type":"journal-article","article-title":"Rational design of full-color fluorescent C3N quantum dots","volume":"15","author":"Pei","year":"2024","journal-title":"J. Phys. Chem. Lett."},{"key":"cmaeab1cbib83","doi-asserted-by":"publisher","first-page":"1770","DOI":"10.1039\/D5CP03700J","type":"journal-article","article-title":"Phase diagram and dynamics of the edge oxidation of C3N monolayers in O2 atmosphere from first-principles calculations","volume":"28","author":"Li","year":"2026","journal-title":"Phys. Chem. Chem. Phys."},{"key":"cmaeab1cbib84","doi-asserted-by":"publisher","first-page":"486","DOI":"10.1038\/s41928-021-00602-z","type":"journal-article","article-title":"Bandgap engineering of two-dimensional C3N bilayers","volume":"4","author":"Wei","year":"2021","journal-title":"Nat. Electron."},{"key":"cmaeab1cbib85","doi-asserted-by":"publisher","first-page":"976","DOI":"10.1140\/epjp\/s13360-023-04556-3","type":"journal-article","article-title":"Tunable electronic structures in C3N\/WSe2 van der Waals heterostructure by biaxial strain and external electric field","volume":"138","author":"Zhang","year":"2023","journal-title":"Eur. Phys. J. Plus"},{"key":"cmaeab1cbib86","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2021.138461","type":"journal-article","article-title":"A heterostructure of C3N\/h-BN with effectively regulated electronic properties by E-field and strain","volume":"770","author":"Peng","year":"2021","journal-title":"Chem. Phys. Lett."},{"key":"cmaeab1cbib87","doi-asserted-by":"publisher","DOI":"10.1063\/5.0004278","type":"journal-article","article-title":"Stacking order driving bandgap and conductance of graphene\/C3B (C3N) van der Waals heterostructures","volume":"116","author":"Kang","year":"2020","journal-title":"Appl. Phys. Lett."},{"key":"cmaeab1cbib88","doi-asserted-by":"publisher","first-page":"858","DOI":"10.1021\/acs.jpclett.7b03449","type":"journal-article","article-title":"Predicting two-dimensional C3B\/C3N van der waals p-n heterojunction with strong interlayer electron coupling and enhanced photocurrent","volume":"9","author":"Zhang","year":"2018","journal-title":"J. Phys. Chem. Lett."},{"key":"cmaeab1cbib89","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.5c04138","type":"journal-article","article-title":"Anisotropic interlayer potentials in C3N\/Graphene and C3N\/h-BN heterostructures","volume":"C","author":"Yang","year":"2025","journal-title":"J. Phys. Chem."},{"key":"cmaeab1cbib90","doi-asserted-by":"publisher","first-page":"6143","DOI":"10.1039\/C9TA00673G","type":"journal-article","article-title":"Isolating hydrogen from oxygen in photocatalytic water splitting with a carbon-quantum-dot\/carbon-nitride hybrid","volume":"7","author":"Wang","year":"2019","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib91","doi-asserted-by":"publisher","first-page":"2186","DOI":"10.1016\/j.ijhydene.2022.10.102","type":"journal-article","article-title":"Two-dimensional C3N\/WS2 vdW heterojunction for direct Z-scheme photocatalytic overall water splitting","volume":"48","author":"Li","year":"2023","journal-title":"Int. J. Hydrog. Energy"},{"key":"cmaeab1cbib92","doi-asserted-by":"publisher","DOI":"10.1088\/1361-6528\/aace20","type":"journal-article","article-title":"Interfacial coupling induced direct Z-scheme water splitting in metal-free photocatalyst: C3N\/g-C3N4 heterojunctions","volume":"29","author":"Wang","year":"2018","journal-title":"Nanotechnology"},{"key":"cmaeab1cbib93","doi-asserted-by":"publisher","first-page":"2267","DOI":"10.1002\/cssc.201800509","type":"journal-article","article-title":"Stable and efficient nitrogen-containing carbon-based electrocatalysts for reactions in energy-conversion systems","volume":"11","author":"Wang","year":"2018","journal-title":"ChemSusChem"},{"key":"cmaeab1cbib94","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.201803329","type":"journal-article","article-title":"A review of precious\u2010metal\u2010free bifunctional oxygen electrocatalysts: rational design and applications in Zn-air batteries","volume":"28","author":"Wang","year":"2018","journal-title":"Adv. Funct. Mater."},{"key":"cmaeab1cbib95","doi-asserted-by":"publisher","first-page":"610","DOI":"10.1002\/anie.201610119","type":"journal-article","article-title":"Atomically dispersed iron-nitrogen species as electrocatalysts for bifunctional oxygen evolution and reduction reactions","volume":"56","author":"Chen","year":"2017","journal-title":"Angew. Chem., Int. Ed."},{"key":"cmaeab1cbib96","doi-asserted-by":"publisher","DOI":"10.1039\/C9TA01389J","type":"journal-article","article-title":"Transition metal-embedded two-dimensional C3N as a highly active electrocatalyst for oxygen evolution and reduction reactions","volume":"7","author":"Zhou","year":"2019","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib97","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b05171","type":"journal-article","article-title":"Boron-doped C3N monolayer as a promising metal-free oxygen reduction reaction catalyst: a theoretical insight","volume":"122","author":"He","year":"2018","journal-title":"J. Phys. Chem. C"},{"key":"cmaeab1cbib98","doi-asserted-by":"publisher","DOI":"10.1039\/c5ta01017a","type":"journal-article","article-title":"The oxygen reduction reaction on Pt(111) and Pt(100) surfaces substituted by subsurface Cu: a theoretical perspective","volume":"3","author":"Li","year":"2015","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib99","doi-asserted-by":"publisher","first-page":"9842","DOI":"10.1039\/C7TA00577F","type":"journal-article","article-title":"Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal","volume":"5","author":"Wang","year":"2017","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib100","doi-asserted-by":"publisher","first-page":"729","DOI":"10.1039\/C6RA25118H","type":"journal-article","article-title":"The oxygen reduction reaction mechanism on Sn doped graphene as an electrocatalyst in fuel cells: a DFT study","volume":"7","author":"Sun","year":"2017","journal-title":"RSC Adv."},{"key":"cmaeab1cbib101","doi-asserted-by":"publisher","first-page":"297","DOI":"10.1016\/j.carbon.2021.05.066","type":"journal-article","article-title":"Designing C3N-supported single atom catalysts for efficient nitrogen reduction based on descriptor of catalytic activity","volume":"182","author":"Nong","year":"2021","journal-title":"Carbon"},{"key":"cmaeab1cbib102","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP04267A","type":"journal-article","article-title":"Transition metal embedded C3N monolayers as promising catalysts for the hydrogen evolution reaction","volume":"21","author":"Zhao","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"cmaeab1cbib103","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcou.2020.101367","type":"journal-article","article-title":"CO2 electroreduction by transition metal-embedded two-dimensional C3N: a theoretical study","volume":"43","author":"Zhang","year":"2021","journal-title":"J. CO2 Util"},{"key":"cmaeab1cbib104","doi-asserted-by":"publisher","first-page":"4390","DOI":"10.1021\/acs.chemmater.6b01395","type":"journal-article","article-title":"Activating inert basal planes of MoS2 for hydrogen evolution reaction through the formation of different intrinsic defects","volume":"28","author":"Ouyang","year":"2016","journal-title":"Chem. Mater."},{"key":"cmaeab1cbib105","doi-asserted-by":"publisher","first-page":"4271","DOI":"10.1039\/C8TA00173A","type":"journal-article","article-title":"High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification","volume":"6","author":"Li","year":"2018","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib106","doi-asserted-by":"publisher","first-page":"566","DOI":"10.1007\/s12274-014-0677-7","type":"journal-article","article-title":"Transition-metal doped edge sites in vertically aligned MoS2 catalysts for enhanced hydrogen evolution","volume":"8","author":"Wang","year":"2015","journal-title":"Nano Res."},{"key":"cmaeab1cbib107","doi-asserted-by":"publisher","first-page":"5308","DOI":"10.1021\/ja0504690","type":"journal-article","article-title":"Biomimetic hydrogen evolution:\u2009 MoS2 nanoparticles as catalyst for hydrogen evolution","volume":"127","author":"Hinnemann","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"cmaeab1cbib108","doi-asserted-by":"publisher","first-page":"J23","DOI":"10.1149\/1.1856988","type":"journal-article","article-title":"Trends in the exchange current for hydrogen evolution","volume":"152","author":"N\u00f8rskov","year":"2005","journal-title":"J. Electrochem. Soc."},{"key":"cmaeab1cbib109","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsusc.2020.147881","type":"journal-article","article-title":"Pd-doped C3N monolayer: a promising low-temperature and high-activity single-atom catalyst for CO oxidation","volume":"537","author":"Cui","year":"2021","journal-title":"Appl. Surf. Sci."},{"key":"cmaeab1cbib110","doi-asserted-by":"publisher","first-page":"101","DOI":"10.3390\/sci7030101","type":"journal-article","article-title":"Theoretical study of CO oxidation on Pt single-atom catalyst decorated C3N monolayers with nitrogen vacancies","volume":"7","author":"Kamchompoo","year":"2025","journal-title":"Sci"},{"key":"cmaeab1cbib111","doi-asserted-by":"publisher","DOI":"10.1016\/j.susc.2023.122320","type":"journal-article","article-title":"The CO oxidation on Mn atom embedded in N vacancy of C3N monolayer: a DFT-D study","volume":"734","author":"Zhang","year":"2023","journal-title":"Surf. Sci."},{"key":"cmaeab1cbib112","doi-asserted-by":"publisher","first-page":"57","DOI":"10.1007\/s00214-019-2444-z","type":"journal-article","article-title":"B-doped C3N monolayer: a robust catalyst for oxidation of carbon monoxide","volume":"138","author":"Esrafili","year":"2019","journal-title":"Theor. Chem. Acc."},{"key":"cmaeab1cbib113","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202300497","type":"journal-article","article-title":"A DFT investigation of B-doped C3N as single atom electrocatalysts for N2 to NH3 conversion","volume":"25","author":"Ma","year":"2024","journal-title":"ChemPhysChem"},{"key":"cmaeab1cbib114","doi-asserted-by":"publisher","DOI":"10.1016\/j.mcat.2022.112888","type":"journal-article","article-title":"Computational screening of transition metal atom doped C3N as electrocatalysts for nitrogen fixation","volume":"535","author":"Song","year":"2023","journal-title":"Mol. Catal."},{"key":"cmaeab1cbib115","doi-asserted-by":"publisher","first-page":"8656","DOI":"10.1007\/s12274-022-4412-5","type":"journal-article","article-title":"Rational design of bimetallic atoms supported on C3N monolayer to break the linear relations for efficient electrochemical nitrogen reduction","volume":"15","author":"Hu","year":"2022","journal-title":"Nano Res."},{"key":"cmaeab1cbib116","doi-asserted-by":"publisher","first-page":"9011","DOI":"10.1021\/acs.langmuir.5c00442","type":"journal-article","article-title":"Main-group p-block metal-doped C3N monolayers as efficient electrocatalysts for NO-to-NH3 conversion: a computational study","volume":"41","author":"Yang","year":"2025","journal-title":"Langmuir"},{"key":"cmaeab1cbib117","doi-asserted-by":"publisher","first-page":"7041","DOI":"10.1007\/s11164-025-05779-y","type":"journal-article","article-title":"Design of C3N-based single-atom catalysts and calculation of the performance in electrocatalytic NO reduction reaction","volume":"51","author":"Song","year":"2025","journal-title":"Res. Chem. Intermed."},{"key":"cmaeab1cbib118","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2020.1759830","type":"journal-article","article-title":"Si-doped C3N monolayers as efficient single-atom catalysts for the reduction of N2O: a computational study","volume":"118","author":"Esrafili","year":"2020","journal-title":"Mol. Phys."},{"key":"cmaeab1cbib119","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201702007","type":"journal-article","article-title":"2D frameworks of C2N and C3N as new anode materials for lithium-ion batteries","volume":"29","author":"Xu","year":"2017","journal-title":"Adv. Mater."},{"key":"cmaeab1cbib120","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.8b14183","type":"journal-article","article-title":"Carbon excess C3N: a potential candidate as Li-ion battery material","volume":"10","author":"Liu","year":"2018","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"cmaeab1cbib121","doi-asserted-by":"publisher","DOI":"10.1016\/j.mssp.2020.104946","type":"journal-article","article-title":"Performance effects of doping engineering on graphene-like C3N as an anode material for alkali metal ion batteries","volume":"109","author":"Tian","year":"2020","journal-title":"Mater. Sci. Semicond. Process."},{"key":"cmaeab1cbib122","doi-asserted-by":"publisher","first-page":"117","DOI":"10.1016\/j.jpowsour.2018.12.031","type":"journal-article","article-title":"Probing C3N\/Graphene heterostructures as anode materials for Li-ion batteries","volume":"413","author":"Wang","year":"2019","journal-title":"J. Power Sources"},{"key":"cmaeab1cbib123","doi-asserted-by":"publisher","first-page":"80","DOI":"10.1016\/j.jcis.2021.12.052","type":"journal-article","article-title":"First-principles identification of interface effect on Li storage capacity of C3N\/graphene multilayer heterostructure","volume":"610","author":"Gavali","year":"2022","journal-title":"J. Colloid Interface Sci."},{"key":"cmaeab1cbib124","doi-asserted-by":"publisher","first-page":"2106","DOI":"10.1039\/C8TA10972A","type":"journal-article","article-title":"C3N\/phosphorene heterostructure: a promising anode material in lithium-ion batteries","volume":"7","author":"Guo","year":"2019","journal-title":"J. Mater. Chem. A"},{"key":"cmaeab1cbib125","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsusc.2019.144518","type":"journal-article","article-title":"C3N\/blue phosphorene heterostructure as a high rate-capacity and stable anode material for lithium ion batteries: insight from first principles calculations","volume":"505","author":"Lin","year":"2020","journal-title":"Appl. Surf. Sci."},{"key":"cmaeab1cbib126","doi-asserted-by":"publisher","DOI":"10.1016\/j.electacta.2023.142799","type":"journal-article","article-title":"Theoretical design of C3N\/Borophene heterostructure as high-performance anode materials for Li-ion batteries","volume":"463","author":"You","year":"2023","journal-title":"Electrochim. Acta"},{"key":"cmaeab1cbib127","doi-asserted-by":"publisher","DOI":"10.1063\/5.0263954","type":"journal-article","article-title":"C3N\/BN heterostructure: a promising anode material in lithium-ion batteries","volume":"126","author":"Peng","year":"2025","journal-title":"Appl. Phys. Lett."},{"key":"cmaeab1cbib128","doi-asserted-by":"publisher","DOI":"10.1016\/j.physe.2022.115402","type":"journal-article","article-title":"Janus MoSSe\/C3N heterostructures: a flexible anode for lithium\/sodium-ion batteries","volume":"144","author":"He","year":"2022","journal-title":"Physica E"},{"key":"cmaeab1cbib129","doi-asserted-by":"publisher","DOI":"10.1063\/1.5128803","type":"journal-article","article-title":"Adsorption of gas molecules on a C3N monolayer and the implications for NO2 sensors","volume":"9","author":"Zhao","year":"2019","journal-title":"AIP Adv."},{"key":"cmaeab1cbib130","doi-asserted-by":"publisher","DOI":"10.1002\/adts.201700008","type":"journal-article","article-title":"Highly sensitive sensing of NO and NO2 gases by monolayer C3N","volume":"1","author":"Babar","year":"2018","journal-title":"Adv. Theory Simul."},{"key":"cmaeab1cbib131","doi-asserted-by":"publisher","first-page":"664","DOI":"10.1016\/j.snb.2018.03.159","type":"journal-article","article-title":"C3N monolayers as promising candidates for NO2 sensors","volume":"266","author":"Ma","year":"2018","journal-title":"Sens. Actuators B"},{"key":"cmaeab1cbib132","doi-asserted-by":"publisher","first-page":"3602","DOI":"10.1109\/JSEN.2020.3028138","type":"journal-article","article-title":"Geometric, electronic and optical properties of Pt-doped C3N monolayer upon NOx adsorption: a DFT study","volume":"21","author":"Cui","year":"2021","journal-title":"IEEE Sens. J."},{"key":"cmaeab1cbib133","doi-asserted-by":"publisher","first-page":"1267","DOI":"10.3390\/nano11051267","type":"journal-article","article-title":"First-principles insight into Pd-doped C3N monolayer as a promising scavenger for NO, NO2 and SO2","volume":"11","author":"Peng","year":"2021","journal-title":"Nanomaterials"},{"key":"cmaeab1cbib134","doi-asserted-by":"publisher","DOI":"10.1016\/j.physe.2021.114622","type":"journal-article","article-title":"Adsorption of CO2 and CH4 molecules on the Pd-decorated C3N based sensors: a first-principles study","volume":"129","author":"Yu","year":"2021","journal-title":"Physica E"},{"key":"cmaeab1cbib135","doi-asserted-by":"publisher","first-page":"2788","DOI":"10.1002\/cphc.201800385","type":"journal-article","article-title":"First-principles study of electrocatalytically reversible CO2 capture on graphene-like C3N","volume":"19","author":"Qin","year":"2018","journal-title":"ChemPhysChem"},{"key":"cmaeab1cbib136","doi-asserted-by":"publisher","first-page":"92","DOI":"10.1016\/j.cej.2017.12.113","type":"journal-article","article-title":"Charge-modulated CO2 capture of C3N nanosheet: insights from DFT calculations","volume":"338","author":"Li","year":"2018","journal-title":"Chem. Eng. J."},{"key":"cmaeab1cbib137","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2019.123403","type":"journal-article","article-title":"Doping-induced enhancement of CO2 adsorption on negatively charged C3N nanosheet: insights from DFT calculations","volume":"387","author":"Li","year":"2020","journal-title":"Chem. Eng. J."},{"key":"cmaeab1cbib138","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.7b09648","type":"journal-article","article-title":"Superior selective CO2 adsorption of C3N pores: GCMC and DFT simulations","volume":"9","author":"Li","year":"2017","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"cmaeab1cbib139","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1016\/j.carbon.2018.12.018","type":"journal-article","article-title":"Detection of gas molecule using C3N island single electron transistor","volume":"144","author":"Rani","year":"2019","journal-title":"Carbon"},{"key":"cmaeab1cbib140","doi-asserted-by":"publisher","first-page":"116","DOI":"10.1007\/s00894-015-2648-7","type":"journal-article","article-title":"Adsorption of carbon monoxide on the pristine, B- and Al-doped C3N nanosheets","volume":"21","author":"Pashangpour","year":"2015","journal-title":"J. Mol. Model."},{"key":"cmaeab1cbib141","doi-asserted-by":"publisher","DOI":"10.1016\/j.diamond.2022.109304","type":"journal-article","article-title":"Rhn (n = 1, 2) modified C3N: a potential candidate for H2S, SOF2, SO2F2 and SO2 detection and scavenging","volume":"128","author":"Sang","year":"2022","journal-title":"Diamond Relat. Mater."},{"key":"cmaeab1cbib142","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsusc.2020.145759","type":"journal-article","article-title":"Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: a first-principles study","volume":"512","author":"Cui","year":"2020","journal-title":"Appl. Surf. Sci."},{"key":"cmaeab1cbib143","doi-asserted-by":"publisher","first-page":"194","DOI":"10.1007\/s00339-018-1629-y","type":"journal-article","article-title":"Noble metal (Pt or Au)-doped monolayer MoS2 as a promising adsorbent and gas-sensing material to SO2, SOF2 and SO2F2: a DFT study","volume":"124","author":"Chen","year":"2018","journal-title":"Appl. Phys. A"},{"key":"cmaeab1cbib144","doi-asserted-by":"publisher","DOI":"10.1016\/j.diamond.2022.109553","type":"journal-article","article-title":"The gas sensing and adsorption properties of XO2 (X = Ti, Zr, Hf) doped C3N towards H2S, SO2, SOF2: a first-principles study","volume":"130","author":"Li","year":"2022","journal-title":"Diamond Relat. Mater."},{"key":"cmaeab1cbib145","doi-asserted-by":"publisher","first-page":"4822","DOI":"10.1021\/acssensors.4c01266","type":"journal-article","article-title":"Susceptible detection of organic molecules based on C3B\/graphene and C3N\/graphene van der Waals heterojunction gas sensors","volume":"9","author":"Luo","year":"2024","journal-title":"ACS Sens."},{"key":"cmaeab1cbib146","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1039\/C6NR07001A","type":"journal-article","article-title":"Electric field controlled CO2 capture and CO2\/N2 separation on MoS2 monolayers","volume":"9","author":"Sun","year":"2017","journal-title":"Nanoscale"},{"key":"cmaeab1cbib147","doi-asserted-by":"publisher","first-page":"282","DOI":"10.1021\/acs.jpcc.4c06211","type":"journal-article","article-title":"Theoretical study of controllable radioactive Xe\/Kr separation on C3N modulated by electric fields","volume":"129","author":"Li","year":"2024","journal-title":"J. Phys. Chem. C"},{"key":"cmaeab1cbib148","doi-asserted-by":"publisher","DOI":"10.1016\/j.diamond.2024.111238","type":"journal-article","article-title":"Research on intelligent sensor for industrial hazardous gases monitoring based on Tc doped C3N using density functional theory","volume":"146","author":"Zheng","year":"2024","journal-title":"Diamond Relat. Mater."},{"key":"cmaeab1cbib149","doi-asserted-by":"publisher","DOI":"10.1002\/adts.202200611","type":"journal-article","article-title":"Adsorption mechanism and optical behaviors of typical volatile organic compounds on pristine and Cu\/Ni\u2010modified C3N monolayer: a first\u2010principles study","volume":"6","author":"Ma","year":"2022","journal-title":"Adv. Theory Simul."},{"key":"cmaeab1cbib150","doi-asserted-by":"publisher","first-page":"7557","DOI":"10.1021\/acs.jpcb.0c05850","type":"journal-article","article-title":"Partial denaturation of villin headpiece upon binding to a carbon nitride polyaniline C3N nanosheet","volume":"124","author":"Gu","year":"2020","journal-title":"J. Phys. Chem. B"},{"key":"cmaeab1cbib151","doi-asserted-by":"publisher","first-page":"2258","DOI":"10.1021\/acs.jpcb.0c11288","type":"journal-article","article-title":"Potential unwinding of double-stranded DNA upon binding to a carbon nitride polyaniline C3N nanosheet","volume":"125","author":"Zhao","year":"2021","journal-title":"J. Phys. Chem. B"},{"key":"cmaeab1cbib152","doi-asserted-by":"publisher","first-page":"4170","DOI":"10.1021\/acs.jcim.3c00570","type":"journal-article","article-title":"Robust mechanical destruction to the cell membrane of carbon nitride polyaniline C3N: a molecular dynamics simulation study","volume":"63","author":"Zeng","year":"2023","journal-title":"J. Chem. Inf. Model."},{"key":"cmaeab1cbib153","doi-asserted-by":"publisher","first-page":"5718","DOI":"10.1038\/s41467-023-41489-y","type":"journal-article","article-title":"C3N nanodots inhibits abeta peptides aggregation pathogenic path in alzheimer\u2019s disease","volume":"14","author":"Yin","year":"2023","journal-title":"Nat. Commun."}],"container-title":["Journal of Physics: Condensed Matter"],"original-title":[],"link":[{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c","content-type":"text\/html","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"similarity-checking"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,20]],"date-time":"2026-10-20T07:04:43Z","timestamp":1792479883000},"score":1,"resource":{"primary":{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aeab1c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,20]]},"references-count":153,"journal-issue":{"issue":"42","published-online":{"date-parts":[[2026,10,20]]},"published-print":{"date-parts":[[2026,10,23]]}},"URL":"https:\/\/doi.org\/10.1088\/1361-648x\/aeab1c","relation":{},"ISSN":["0953-8984","1361-648X"],"issn-type":[{"value":"0953-8984","type":"print"},{"value":"1361-648X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,10,20]]},"assertion":[{"value":"Structures, properties, and applications of two-dimensional C\n                      3\n                      N and derivatives","name":"article_title","label":"Article Title"},{"value":"Journal of Physics: Condensed Matter","name":"journal_title","label":"Journal Title"},{"value":"paper","name":"article_type","label":"Article Type"},{"value":"\u00a9 2026 IOP Publishing Ltd. All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2026-03-31","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-09-22","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-10-20","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}