{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,13]],"date-time":"2026-11-13T03:45:18Z","timestamp":1794541518854,"version":"4.9.1"},"reference-count":43,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2026,2,24]],"date-time":"2026-02-24T00:00:00Z","timestamp":1771891200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"},{"start":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T00:00:00Z","timestamp":1775001600000},"content-version":"vor","delay-in-days":36,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Nat Commun"],"DOI":"10.1038\/s41467-026-69780-8","type":"journal-article","created":{"date-parts":[[2026,2,24]],"date-time":"2026-02-24T09:35:42Z","timestamp":1771925742000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Sulfur vacancy-confined Co-Mo sites in MoS2 for high-efficiency CO2 hydrogenation to formate"],"prefix":"10.1038","volume":"17","author":[{"given":"Zifeng","family":"Wang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yiran","family":"Kang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guancheng","family":"Chen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qinqin","family":"Ji","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yunlong","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yutai","family":"Qi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Juntong","family":"Zhu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6803-1095","authenticated-orcid":false,"given":"Wu","family":"Zhou","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3276-6137","authenticated-orcid":false,"given":"Rui","family":"Huang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6106-3828","authenticated-orcid":false,"given":"Jingting","family":"Hu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9279-4092","authenticated-orcid":false,"given":"Liang","family":"Yu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9775-8189","authenticated-orcid":false,"given":"Zhong-qun","family":"Tian","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9702-0531","authenticated-orcid":false,"given":"Dehui","family":"Deng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,2,24]]},"reference":[{"key":"69780_CR1","doi-asserted-by":"publisher","first-page":"882","DOI":"10.1039\/C5QI00231A","volume":"3","author":"GH Gunasekar","year":"2016","unstructured":"Gunasekar, G. H., Park, K., Jung, K.-D. & Yoon, S. Recent developments in the catalytic hydrogenation of CO2 to formic acid\/formate using heterogeneous catalysts. Inorg. Chem. Front. 3, 882\u2013895 (2016).","journal-title":"Inorg. Chem. Front."},{"key":"69780_CR2","doi-asserted-by":"publisher","first-page":"2200817","DOI":"10.1002\/aenm.202200817","volume":"12","author":"M Liu","year":"2022","unstructured":"Liu, M. et al. Heterogeneous catalysis for carbon dioxide mediated hydrogen storage technology based on formic acid. Adv. Energy Mater. 12, 2200817 (2022).","journal-title":"Adv. Energy Mater."},{"key":"69780_CR3","doi-asserted-by":"publisher","first-page":"372","DOI":"10.1021\/acs.chemrev.7b00182","volume":"118","author":"K Sordakis","year":"2018","unstructured":"Sordakis, K. et al. Homogeneous catalysis for sustainable hydrogen storage in formic acid and alcohols. Chem. Rev. 118, 372\u2013433 (2018).","journal-title":"Chem. Rev."},{"key":"69780_CR4","doi-asserted-by":"publisher","first-page":"1247","DOI":"10.1039\/D0EE03575K","volume":"14","author":"R Sun","year":"2021","unstructured":"Sun, R. et al. Heterogeneous catalysts for CO2 hydrogenation to formic acid\/formate: from nanoscale to single atom. Energ. Environ. Sci. 14, 1247\u20131285 (2021).","journal-title":"Energ. Environ. Sci."},{"key":"69780_CR5","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202302789","volume":"62","author":"Z Zhang","year":"2023","unstructured":"Zhang, Z. et al. Membrane electrode assembly for electrocatalytic CO2 reduction: principle and application. Angew. Chem. Int. Ed. 62, e202302789 (2023).","journal-title":"Angew. Chem. Int. Ed."},{"key":"69780_CR6","doi-asserted-by":"publisher","first-page":"9490","DOI":"10.1039\/c4ta01133c","volume":"2","author":"JH Lee","year":"2014","unstructured":"Lee, J. H. et al. Carbon dioxide mediated, reversible chemical hydrogen storage using a Pd nanocatalyst supported on mesoporous graphitic carbon nitride. J. Mater. Chem. A 2, 9490\u20139495 (2014).","journal-title":"J. Mater. Chem. A"},{"key":"69780_CR7","doi-asserted-by":"publisher","first-page":"14302","DOI":"10.1039\/C6CC07401D","volume":"52","author":"H Park","year":"2016","unstructured":"Park, H. et al. A highly active and stable palladium catalyst on a g-C3N4 support for direct formic acid synthesis under neutral conditions. Chem. Commun. 52, 14302\u201314305 (2016).","journal-title":"Chem. Commun."},{"key":"69780_CR8","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-017-01673-3","volume":"8","author":"Q Liu","year":"2017","unstructured":"Liu, Q. et al. Direct catalytic hydrogenation of CO2 to formate over a Schiff-base-mediated gold nanocatalyst. Nat. Commun. 8, 1407 (2017).","journal-title":"Nat. Commun."},{"key":"69780_CR9","doi-asserted-by":"publisher","first-page":"17747","DOI":"10.1021\/jacs.7b10922","volume":"139","author":"B An","year":"2017","unstructured":"An, B. et al. Molecular iridium complexes in metal-organic frameworks catalyze CO2 hydrogenation via concerted proton and hydride transfer. J. Am. Chem. Soc. 139, 17747\u201317750 (2017).","journal-title":"J. Am. Chem. Soc."},{"key":"69780_CR10","doi-asserted-by":"publisher","first-page":"4346","DOI":"10.1021\/acscatal.8b00392","volume":"8","author":"GH Gunasekar","year":"2018","unstructured":"Gunasekar, G. H. et al. Design strategy toward recyclable and highly efficient heterogeneous catalysts for the hydrogenation of CO2 to formate. ACS Catal 8, 4346\u20134353 (2018).","journal-title":"ACS Catal"},{"key":"69780_CR11","doi-asserted-by":"publisher","first-page":"3147","DOI":"10.1021\/acscatal.7b00312","volume":"7","author":"K Mori","year":"2017","unstructured":"Mori, K., Taga, T. & Yamashita, H. Isolated single-atomic Ru catalyst bound on a layered double hydroxide for hydrogenation of CO2 to formic acid. ACS Catal 7, 3147\u20133151 (2017).","journal-title":"ACS Catal"},{"key":"69780_CR12","doi-asserted-by":"publisher","first-page":"218","DOI":"10.1016\/j.jcou.2017.05.015","volume":"20","author":"N Jiang","year":"2017","unstructured":"Jiang, N. et al. A structure-activity controllable synthesis of skeletal CuAlZn catalyst for hydrogenation of bicarbonate to formic acid in water. J. CO2 Util. 20, 218\u2013223 (2017).","journal-title":"J. CO2 Util."},{"key":"69780_CR13","doi-asserted-by":"publisher","first-page":"19581","DOI":"10.1021\/acsami.0c03037","volume":"12","author":"J Wang","year":"2020","unstructured":"Wang, J. et al. Ultrasmall Ni-ZnO\/SiO2 synergistic catalyst for highly efficient hydrogenation of NaHCO3 to formic acid. ACS Appl. Mater. Inter. 12, 19581\u201319586 (2020).","journal-title":"ACS Appl. Mater. Inter."},{"key":"69780_CR14","doi-asserted-by":"publisher","first-page":"651","DOI":"10.1016\/j.scib.2020.02.004","volume":"65","author":"H-H Wang","year":"2020","unstructured":"Wang, H.-H. et al. Mild and selective hydrogenation of CO2 into formic acid over electron-rich MoC nanocatalysts. Sci. Bull. 65, 651\u2013657 (2020).","journal-title":"Sci. Bull."},{"key":"69780_CR15","doi-asserted-by":"publisher","first-page":"30","DOI":"10.1039\/D0FD00137F","volume":"230","author":"CE Mitchell","year":"2021","unstructured":"Mitchell, C. E. et al. The role of surface oxidation and Fe-Ni synergy in Fe-Ni-S catalysts for CO2 hydrogenation. Faraday Discuss 230, 30\u201351 (2021).","journal-title":"Faraday Discuss"},{"key":"69780_CR16","doi-asserted-by":"publisher","first-page":"8931","DOI":"10.1039\/D1NR01054A","volume":"13","author":"XP Fu","year":"2021","unstructured":"Fu, X. P. et al. An air-stable, reusable Ni@Ni(OH)2 nanocatalyst for CO2\/bicarbonate hydrogenation to formate. Nanoscale 13, 8931\u20138939 (2021).","journal-title":"Nanoscale"},{"key":"69780_CR17","doi-asserted-by":"publisher","first-page":"2846","DOI":"10.1021\/acsearthspacechem.1c00223","volume":"5","author":"BJ Akinbile","year":"2021","unstructured":"Akinbile, B. J., Matsinha, L. C., Ambushe, A. A. & Makhubela, B. C. E. Catalytic conversion of CO2 to formate promoted by a biochar-supported nickel catalyst sourced from nickel phytoextraction using cyanogen-rich cassava. ACS Earth Space Chem 5, 2846\u20132854 (2021).","journal-title":"ACS Earth Space Chem"},{"key":"69780_CR18","doi-asserted-by":"publisher","first-page":"779","DOI":"10.1039\/D0CY01779E","volume":"11","author":"CE Mitchell","year":"2021","unstructured":"Mitchell, C. E. et al. A surface oxidised Fe-S catalyst for the liquid phase hydrogenation of CO2. Catal. Sci. Technol. 11, 779\u2013784 (2021).","journal-title":"Catal. Sci. Technol."},{"key":"69780_CR19","doi-asserted-by":"publisher","first-page":"101910","DOI":"10.1016\/j.jcou.2022.101910","volume":"58","author":"L Zhou","year":"2022","unstructured":"Zhou, L. et al. Cyclic (alkyl)(amino)carbene-copper supported on SBA-15 as an efficient and recyclable catalyst for CO2 hydrogenation to formate. J. CO2 Util. 58, 101910 (2022).","journal-title":"J. CO2 Util."},{"key":"69780_CR20","doi-asserted-by":"publisher","first-page":"e202307086","DOI":"10.1002\/anie.202307086","volume":"62","author":"ZF Wang","year":"2023","unstructured":"Wang, Z. F. et al. Boosting CO2 hydrogenation to formate over edge-sulfur vacancies of molybdenum disulfide. Angew. Chem. Int. Ed. 62, e202307086 (2023).","journal-title":"Angew. Chem. Int. Ed."},{"key":"69780_CR21","doi-asserted-by":"publisher","first-page":"242","DOI":"10.1038\/s41929-021-00584-3","volume":"4","author":"J Hu","year":"2021","unstructured":"Hu, J. et al. Sulfur vacancy-rich MoS2 as a catalyst for the hydrogenation of CO2 to methanol. Nature Catal 4, 242\u2013250 (2021).","journal-title":"Nature Catal"},{"key":"69780_CR22","doi-asserted-by":"publisher","first-page":"1246","DOI":"10.1038\/s41557-018-0136-2","volume":"10","author":"J Pet\u0151","year":"2018","unstructured":"Pet\u0151, J. et al. Spontaneous doping of the basal plane of MoS2 single layers through oxygen substitution under ambient conditions. Nat. Chem. 10, 1246\u20131251 (2018).","journal-title":"Nat. Chem."},{"key":"69780_CR23","doi-asserted-by":"publisher","first-page":"667","DOI":"10.1238\/Physica.Topical.115a00667","volume":"2005","author":"T Kubota","year":"2005","unstructured":"Kubota, T., Kawano, M. & Okamoto, Y. Study of the probe molecule adsorption on CoMo sulfide model catalysts by means of XAFS and FTIR. Phys. Scripta 2005, 667 (2005).","journal-title":"Phys. Scripta"},{"key":"69780_CR24","doi-asserted-by":"publisher","first-page":"1086","DOI":"10.1039\/b301487h","volume":"9","author":"Y Okamoto","year":"2003","unstructured":"Okamoto, Y., Kawano, M. & Kubota, T. Fraction of the CoMoS phases accessible to NO in Co-Mo hydrodesulfurization catalysts. Chem. Commun. 9, 1086 (2003).","journal-title":"Chem. Commun."},{"key":"69780_CR25","doi-asserted-by":"publisher","first-page":"14144","DOI":"10.1021\/jp961204y","volume":"100","author":"T Weber","year":"1996","unstructured":"Weber, T. et al. Basic reaction steps in the sulfidation of crystalline MoO3 to MoS2, as studied by X-ray photoelectron and infrared emission spectroscopy. J. Phys. Chem. 100, 14144\u201314150 (1996).","journal-title":"J. Phys. Chem."},{"key":"69780_CR26","doi-asserted-by":"publisher","first-page":"309","DOI":"10.1016\/0020-0891(87)90072-8","volume":"27","author":"SS Saleem","year":"1987","unstructured":"Saleem, S. S. Infrared and Raman spectroscopic studies of the polymorphic forms of nickel, cobalt and ferric molybdates. Infrared Phys. 27, 309\u2013315 (1987).","journal-title":"Infrared Phys."},{"key":"69780_CR27","doi-asserted-by":"publisher","first-page":"386","DOI":"10.1016\/0021-9517(83)90010-6","volume":"84","author":"NY Tops\u00f8e","year":"1983","unstructured":"Tops\u00f8e, N. Y. & Tops\u00f8e, H. Characterization of the structures and active sites in sulfided Co-Mo\/Al2O3 and Ni-Mo\/Al2O3 catalysts by NO chemisorption. J. Catal. 84, 386\u2013401 (1983).","journal-title":"J. Catal."},{"key":"69780_CR28","doi-asserted-by":"publisher","first-page":"746","DOI":"10.1038\/nature07877","volume":"458","author":"X Xie","year":"2009","unstructured":"Xie, X. et al. Low-temperature oxidation of CO catalysed by Co3O4 nanorods. Nature 458, 746\u2013749 (2009).","journal-title":"Nature"},{"key":"69780_CR29","doi-asserted-by":"publisher","first-page":"34733","DOI":"10.1039\/C4RA05614K","volume":"4","author":"J Deng","year":"2014","unstructured":"Deng, J. et al. High-performance hydrogen evolution electrocatalysis by layer-controlled MoS2 nanosheets. RSC Adv. 4, 34733\u201334738 (2014).","journal-title":"RSC Adv."},{"key":"69780_CR30","doi-asserted-by":"publisher","first-page":"558","DOI":"10.1103\/PhysRevB.47.558","volume":"47","author":"G Kresse","year":"1993","unstructured":"Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558\u2013561 (1993).","journal-title":"Phys. Rev. B"},{"key":"69780_CR31","doi-asserted-by":"publisher","first-page":"14251","DOI":"10.1103\/PhysRevB.49.14251","volume":"49","author":"G Kresse","year":"1994","unstructured":"Kresse, G. & Hafner, J. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. Phys. Rev. B 49, 14251\u201314269 (1994).","journal-title":"Phys. Rev. B"},{"key":"69780_CR32","doi-asserted-by":"publisher","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"G Kresse","year":"1996","unstructured":"Kresse, G. & Furthm\u00fcller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mater. Sci. 6, 15\u201350 (1996).","journal-title":"Comp. Mater. Sci."},{"key":"69780_CR33","doi-asserted-by":"publisher","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"G Kresse","year":"1996","unstructured":"Kresse, G. & Furthm\u00fcller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169\u201311186 (1996).","journal-title":"Phys. Rev. B"},{"key":"69780_CR34","doi-asserted-by":"publisher","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"PE Blochl","year":"1994","unstructured":"Blochl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953\u201317979 (1994).","journal-title":"Phys. Rev. B"},{"key":"69780_CR35","doi-asserted-by":"publisher","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"G Kresse","year":"1999","unstructured":"Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758\u20131775 (1999).","journal-title":"Phys. Rev. B"},{"key":"69780_CR36","doi-asserted-by":"publisher","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"JP Perdew","year":"1996","unstructured":"Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865\u20133868 (1996).","journal-title":"Phys. Rev. Lett."},{"key":"69780_CR37","doi-asserted-by":"publisher","first-page":"1396","DOI":"10.1103\/PhysRevLett.78.1396","volume":"78","author":"JP Perdew","year":"1997","unstructured":"Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 78, 1396 (1997).","journal-title":"Phys. Rev. Lett."},{"key":"69780_CR38","doi-asserted-by":"publisher","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"S Grimme","year":"2010","unstructured":"Grimme, S., Antony, J., Ehrlich, S. & Krieg, H. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem. Phys. 132, 154104 (2010).","journal-title":"J. Chem. Phys."},{"key":"69780_CR39","doi-asserted-by":"publisher","first-page":"1456","DOI":"10.1002\/jcc.21759","volume":"32","author":"S Grimme","year":"2011","unstructured":"Grimme, S., Ehrlich, S. & Goerigk, L. Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem. 32, 1456\u20131465 (2011).","journal-title":"J. Comput. Chem."},{"key":"69780_CR40","doi-asserted-by":"publisher","first-page":"273002","DOI":"10.1088\/1361-648X\/aa680e","volume":"29","author":"A Hjorth Larsen","year":"2017","unstructured":"Hjorth Larsen, A. et al. The atomic simulation environment-a Python library for working with atoms. J. Phys. Condens. Mat. 29, 273002 (2017).","journal-title":"J. Phys. Condens. Mat."},{"key":"69780_CR41","doi-asserted-by":"publisher","first-page":"129","DOI":"10.1006\/jcat.1999.2698","volume":"189","author":"P Raybaud","year":"2000","unstructured":"Raybaud, P. et al. Ab initio study of the H2-H2S\/MoS2 gas-solid interface: the nature of the catalytically active sites. J. Catal. 189, 129\u2013146 (2000).","journal-title":"J. Catal."},{"key":"69780_CR42","doi-asserted-by":"publisher","first-page":"1381","DOI":"10.1021\/nl404444k","volume":"14","author":"C Tsai","year":"2014","unstructured":"Tsai, C., Abild-Pedersen, F. & Norskov, J. K. Tuning the MoS2 edge-site activity for hydrogen evolution via support interactions. Nano Lett. 14, 1381\u20131387 (2014).","journal-title":"Nano Lett."},{"key":"69780_CR43","doi-asserted-by":"publisher","first-page":"5188","DOI":"10.1103\/PhysRevB.13.5188","volume":"13","author":"HJ Monkhorst","year":"1976","unstructured":"Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188\u20135192 (1976).","journal-title":"Phys. Rev. B"}],"container-title":["Nature Communications"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/s41467-026-69780-8","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41467-026-69780-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41467-026-69780-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T13:03:36Z","timestamp":1775048616000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/s41467-026-69780-8"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,24]]},"references-count":43,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2026,12]]}},"alternative-id":["69780"],"URL":"https:\/\/doi.org\/10.1038\/s41467-026-69780-8","relation":{},"ISSN":["2041-1723"],"issn-type":[{"value":"2041-1723","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,24]]},"assertion":[{"value":"11 August 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"9 February 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"24 February 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"The authors declare no competing interests.","order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"3121"}}