{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,4]],"date-time":"2026-07-04T11:26:47Z","timestamp":1783164407989,"version":"3.54.6"},"reference-count":45,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2026,2,27]],"date-time":"2026-02-27T00:00:00Z","timestamp":1772150400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,2,27]],"date-time":"2026-02-27T00:00:00Z","timestamp":1772150400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Small Methods"],"published-print":{"date-parts":[[2026,5]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Efficient oxygen reduction at the cathode remains a critical bottleneck in advancing bio\u2010electrochemical energy conversion, necessitating integrated experimental and atomistic\u2010level understanding. 2D polymeric nanomaterials offer stable, nitrogen\u2010rich frameworks as sustainable alternatives to platinum catalysts. However, their poor conductivity and low active\u2010site density hinder oxygen reduction reactions (ORR), create an inefficient two\u2010electron pathway, and limit the use of bio(electrochemical) devices for power generation. Lanthanide incorporation, owing to their unique redox and electronic properties, offers a promising route to overcome these shortcomings. In this investigation, lanthanides (RE) were incorporated into graphitic carbon nitride nanoparticles (g\u2010C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    NPs) via one\u2010pot synthesis, resulting in structural and electronic modifications confirmed by experiments and simulations, thereby enhancing their suitability for bio(electrochemical) systems. High\u2010resolution TEM (HR\u2010TEM) shows lattice distortion and nanosheet corrugation after lanthanide incorporation. X\u2010ray photoelectron spectroscopy (XPS) confirms mixed RE\n                    <jats:sup>3+<\/jats:sup>\n                    \/RE\n                    <jats:sup>4+<\/jats:sup>\n                    states and valence\u2010band modulation, which agrees well with density of states (DOS) calculations indicating Ce\/Gd 4f\u2010\u03c0 hybridization near the Fermi level. Density functional theory (DFT) charge\u2010density and adsorption analyses reveal that lanthanide sites stabilize key ORR intermediates and lower the reaction overpotential, favoring a four\u2010electron pathway. This is consistent with the experimentally observed electron transfer number of n \u2248 3.9. Electrochemical tests show improved ORR activity for Gd\u2010g\u2010C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    NPs, with an onset potential of 0.81 V vs RHE and performance approaching Pt\/C. When used as a microbial fuel cell cathode, Gd\u2010g\u2010C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    NPs deliver higher power output and COD removal, along with low peroxide yield, good stability, and strong methanol tolerance. When Gd\u2010g\u2010C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    NPs are used in microbial fuel cells (MFCs) as cathode catalysts, they achieve a peak power density of 447 mW m\n                    <jats:sup>\u22122<\/jats:sup>\n                    and 83% chemical oxygen demand (COD) removal, outperforming both pristine and Ce\u2010based variants. The catalyst also demonstrated a low peroxide yield (&lt; 5%), excellent stability, and superior methanol tolerance compared with Pt\/C. This investigation offers mechanistic insights from integrated experimental and computational approaches to advance efficient electrocatalysts for power generation in MFCs and clean energy and water systems.\n                  <\/jats:p>","DOI":"10.1002\/smtd.202502313","type":"journal-article","created":{"date-parts":[[2026,3,8]],"date-time":"2026-03-08T08:21:10Z","timestamp":1772958070000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Atomistic\u2010to\u2010Device Understanding of Oxygen Reduction Using Redox\u2010Active Lanthanide\u2010Coupled Carbon Nitride Nanoparticles for Bio\u2010Electrochemical Power Generation in Microbial Fuel Cells"],"prefix":"10.1002","volume":"10","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0126-1523","authenticated-orcid":false,"given":"Saikat Kumar","family":"Kuila","sequence":"first","affiliation":[{"name":"Department of Metallurgical and Materials Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"},{"name":"School of Water Resources Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"},{"name":"Department of Mechanical Engineering College of Engineering University of Guelph  Ontario Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rishabh","family":"Raj","sequence":"additional","affiliation":[{"name":"Department of Civil Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"},{"name":"School of Environmental Science and Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"},{"name":"Biochemical Process Engineering Division of Chemical Engineering Department of Civil Environmental and Natural Resources Engineering Lule\u00e5 University of Technology  Lule\u00e5 Sweden"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Deepak Kumar","family":"Gorai","sequence":"additional","affiliation":[{"name":"Department of Metallurgical and Materials Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Debanjali","family":"Ghosh","sequence":"additional","affiliation":[{"name":"Materials Science Centre Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Debabrata","family":"Pradhan","sequence":"additional","affiliation":[{"name":"Materials Science Centre Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"C. S.","family":"Tiwary","sequence":"additional","affiliation":[{"name":"Department of Metallurgical and Materials Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"T. K.","family":"Kundu","sequence":"additional","affiliation":[{"name":"Department of Metallurgical and Materials Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M. M.","family":"Ghangrekar","sequence":"additional","affiliation":[{"name":"Department of Civil Engineering Indian Institute of Technology Kharagpur  Kharagpur West Bengal India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"B. 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