{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T03:19:46Z","timestamp":1792552786457,"version":"4.5.0"},"reference-count":53,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T00:00:00Z","timestamp":1705276800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T00:00:00Z","timestamp":1705276800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22CAA00915"],"award-info":[{"award-number":["22CAA00915"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Nat Commun"],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    The limited surface coverage and activity of active hydrides on oxide surfaces pose challenges for efficient hydrogenation reactions. Herein, we quantitatively distinguish the long-puzzling homolytic dissociation of hydrogen from the heterolytic pathway on Ga\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>3<\/jats:sub>\n                    , that is useful for enhancing hydrogenation ability of oxides. By combining transient kinetic analysis with infrared and mass spectroscopies, we identify the catalytic role of coordinatively unsaturated Ga\n                    <jats:sup>3+<\/jats:sup>\n                    in homolytic H\n                    <jats:sub>2<\/jats:sub>\n                    dissociation, which is formed in-situ during the initial heterolytic dissociation. This site facilitates easy hydrogen dissociation at low temperatures, resulting in a high hydride coverage on Ga\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>3<\/jats:sub>\n                    (H\/surface Ga\n                    <jats:sup>3+<\/jats:sup>\n                    ratio of 1.6 and H\/OH ratio of 5.6). The effectiveness of homolytic dissociation is governed by the Ga-Ga distance, which is strongly influenced by the initial coordination of Ga\n                    <jats:sup>3+<\/jats:sup>\n                    . Consequently, by tuning the coordination of active Ga\n                    <jats:sup>3+<\/jats:sup>\n                    species as well as the coverage and activity of hydrides, we achieve enhanced hydrogenation of CO\n                    <jats:sub>2<\/jats:sub>\n                    to CO, methanol or light olefins by 4-6 times.\n                  <\/jats:p>","DOI":"10.1038\/s41467-024-44711-7","type":"journal-article","created":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T14:02:25Z","timestamp":1705327345000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":96,"title":["Homolytic H2 dissociation for enhanced hydrogenation catalysis on oxides"],"prefix":"10.1038","volume":"15","author":[{"given":"Chengsheng","family":"Yang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5894-5910","authenticated-orcid":false,"given":"Sicong","family":"Ma","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yongmei","family":"Liu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lihua","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Desheng","family":"Yuan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4126-1568","authenticated-orcid":false,"given":"Wei-Peng","family":"Shao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lunjia","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1406-9717","authenticated-orcid":false,"given":"Fan","family":"Yang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9177-070X","authenticated-orcid":false,"given":"Tiejun","family":"Lin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7757-1168","authenticated-orcid":false,"given":"Hongxin","family":"Ding","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Heyong","family":"He","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2906-5217","authenticated-orcid":false,"given":"Zhi-Pan","family":"Liu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yong","family":"Cao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8965-5051","authenticated-orcid":false,"given":"Yifeng","family":"Zhu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9404-6429","authenticated-orcid":false,"given":"Xinhe","family":"Bao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2024,1,15]]},"reference":[{"key":"44711_CR1","doi-asserted-by":"publisher","first-page":"1296","DOI":"10.1126\/science.aal3573","volume":"355","author":"S Kattel","year":"2017","unstructured":"Kattel, S., Ramirez, P. J., Chen, J. G., Rodriguez, J. A. & Liu, P. Active sites for CO2 hydrogenation to methanol on Cu\/ZnO catalysts. Science 355, 1296\u20131299 (2017).","journal-title":"Science"},{"key":"44711_CR2","doi-asserted-by":"publisher","first-page":"6261","DOI":"10.1002\/anie.201600943","volume":"55","author":"O Martin","year":"2016","unstructured":"Martin, O. et al. Indium oxide as a superior catalyst for methanol synthesis by CO2 hydrogenation. Angew. Chem. Int. Ed. 55, 6261\u20136265 (2016).","journal-title":"Angew. Chem. Int. Ed."},{"key":"44711_CR3","doi-asserted-by":"publisher","first-page":"e1701290","DOI":"10.1126\/sciadv.1701290","volume":"3","author":"J Wang","year":"2017","unstructured":"Wang, J. et al. A highly selective and stable ZnO-ZrO2 solid solution catalyst for CO2 hydrogenation to methanol. Sci. Adv. 3, e1701290 (2017).","journal-title":"Sci. Adv."},{"key":"44711_CR4","doi-asserted-by":"publisher","first-page":"8047","DOI":"10.1002\/anie.200903918","volume":"48","author":"JA Rodriguez","year":"2009","unstructured":"Rodriguez, J. A. et al. Water-gas shift reaction on a highly active inverse CeOx\/Cu(111) catalyst: unique role of ceria nanoparticles. Angew. Chem. Int. Ed. 48, 8047\u20138050 (2009).","journal-title":"Angew. Chem. Int. Ed."},{"key":"44711_CR5","doi-asserted-by":"publisher","first-page":"389","DOI":"10.1126\/science.aah4321","volume":"357","author":"S Yao","year":"2017","unstructured":"Yao, S. et al. Atomic-layered Au clusters on alpha-MoC as catalysts for the low-temperature water-gas shift reaction. Science 357, 389\u2013393 (2017).","journal-title":"Science"},{"key":"44711_CR6","doi-asserted-by":"publisher","first-page":"155","DOI":"10.1126\/science.aau6716","volume":"363","author":"R van Lent","year":"2019","unstructured":"van Lent, R. et al. Site-specific reactivity of molecules with surface defects-the case of H2 dissociation on Pt. Science 363, 155\u2013157 (2019).","journal-title":"Science"},{"key":"44711_CR7","doi-asserted-by":"publisher","first-page":"68","DOI":"10.1038\/nature20782","volume":"541","author":"W Karim","year":"2017","unstructured":"Karim, W. et al. Catalyst support effects on hydrogen spillover. Nature 541, 68\u201371 (2017).","journal-title":"Nature"},{"key":"44711_CR8","doi-asserted-by":"publisher","first-page":"6588","DOI":"10.1021\/acs.chemrev.0c01012","volume":"121","author":"X Pan","year":"2021","unstructured":"Pan, X., Jiao, F., Miao, D. & Bao, X. Oxide-zeolite-based composite catalyst concept that enables syngas chemistry beyond Fischer-Tropsch synthesis. Chem. Rev. 121, 6588\u20136609 (2021).","journal-title":"Chem. Rev."},{"key":"44711_CR9","doi-asserted-by":"publisher","first-page":"e202217701","DOI":"10.1002\/anie.202217701","volume":"62","author":"B Bai","year":"2023","unstructured":"Bai, B. et al. Tuning the crystal phase to form MnGaOx-spinel for highly efficient syngas to light olefins. Angew. Chem. Int. Ed. 62, e202217701 (2023).","journal-title":"Angew. Chem. Int. Ed."},{"key":"44711_CR10","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-30344-1","volume":"13","author":"N Li","year":"2022","unstructured":"Li, N. et al. Steering the reaction pathway of syngas-to-light olefins with coordination unsaturated sites of ZnGaOx spinel. Nat. Commun. 13, 2742 (2022).","journal-title":"Nat. Commun."},{"key":"44711_CR11","doi-asserted-by":"publisher","first-page":"1065","DOI":"10.1126\/science.aaf1835","volume":"351","author":"F Jiao","year":"2016","unstructured":"Jiao, F. et al. Selective conversion of syngas to light olefins. Science 351, 1065\u20131068 (2016).","journal-title":"Science"},{"key":"44711_CR12","doi-asserted-by":"publisher","first-page":"5183","DOI":"10.1039\/C5CY02161H","volume":"6","author":"H Xiao","year":"2016","unstructured":"Xiao, H. et al. Dehydrogenation of propane over hydrothermal synthesized Ga2O3-Al2O3 catalyst in the presence of carbon dioxide. Catal. Sci. Technol. 6, 5183\u20135195 (2016).","journal-title":"Catal. Sci. Technol."},{"key":"44711_CR13","doi-asserted-by":"publisher","first-page":"aaf7229","DOI":"10.1126\/science.aaf7229","volume":"354","author":"DW Stephan","year":"2016","unstructured":"Stephan, D. W. The broadening reach of frustrated Lewis pair chemistry. Science 354, aaf7229 (2016).","journal-title":"Science"},{"key":"44711_CR14","doi-asserted-by":"publisher","first-page":"180","DOI":"10.1016\/0021-9517(62)90022-2","volume":"1","author":"R Eischens","year":"1962","unstructured":"Eischens, R. The infrared spectrum of hydrogen chemisorbed on zinc oxide. J. Catal. 1, 180\u2013191 (1962).","journal-title":"J. Catal."},{"key":"44711_CR15","doi-asserted-by":"publisher","first-page":"6622","DOI":"10.1021\/ja00774a009","volume":"94","author":"M Boudart","year":"2002","unstructured":"Boudart, M., Delbouille, A., Derouane, E. G., Indovina, V. & Walters, A. B. Activation of hydrogen at 78.deg.K on paramagnetic centers of magnesium oxide. J. Am. Chem. Soc. 94, 6622\u20136630 (2002).","journal-title":"J. Am. Chem. Soc."},{"key":"44711_CR16","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-31362-9","volume":"13","author":"S Xiang","year":"2022","unstructured":"Xiang, S. et al. A unique Co@CoO catalyst for hydrogenolysis of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran. Nat. Commun. 13, 3657 (2022).","journal-title":"Nat. Commun."},{"key":"44711_CR17","doi-asserted-by":"publisher","first-page":"731","DOI":"10.1039\/c0sc00336k","volume":"1","author":"R Ju\u00e1rez","year":"2010","unstructured":"Ju\u00e1rez, R., Parker, S. F., Concepci\u00f3n, P., Corma, A. & Garc\u00eda, H. Heterolytic and heterotopic dissociation of hydrogen on ceria-supported gold nanoparticles. Combined inelastic neutron scattering and FT-IR spectroscopic study on the nature and reactivity of surface hydrogen species. Chem. Sci. 1, 731\u2013738 (2010).","journal-title":"Chem. Sci."},{"key":"44711_CR18","doi-asserted-by":"publisher","first-page":"17365","DOI":"10.1021\/jacs.2c01005","volume":"144","author":"H Chen","year":"2022","unstructured":"Chen, H. et al. Direct detection of reactive gallium-hydride species on the Ga2O3 surface via solid-state NMR. Spectrosc. J. Am. Chem. Soc. 144, 17365\u201317375 (2022).","journal-title":"Spectrosc. J. Am. Chem. Soc."},{"key":"44711_CR19","doi-asserted-by":"publisher","first-page":"1369","DOI":"10.1016\/j.joule.2018.03.007","volume":"2","author":"L Wang","year":"2018","unstructured":"Wang, L. et al. Photocatalytic hydrogenation of carbon dioxide with high selectivity to methanol at atmospheric pressure. Joule 2, 1369\u20131381 (2018).","journal-title":"Joule"},{"key":"44711_CR20","doi-asserted-by":"publisher","first-page":"546","DOI":"10.1021\/acscatal.7b02732","volume":"8","author":"Z-Q Huang","year":"2017","unstructured":"Huang, Z.-Q. et al. Understanding all-solid frustrated-lewis-pair sites on CeO2 from theoretical perspectives. ACS Catal. 8, 546\u2013554 (2017).","journal-title":"ACS Catal."},{"key":"44711_CR21","doi-asserted-by":"publisher","first-page":"14686","DOI":"10.1002\/anie.201907117","volume":"58","author":"Z Li","year":"2019","unstructured":"Li, Z. et al. Oxidation of reduced ceria by incorporation of hydrogen. Angew. Chem. Int. Ed. 58, 14686\u201314693 (2019).","journal-title":"Angew. Chem. Int. Ed."},{"key":"44711_CR22","doi-asserted-by":"publisher","first-page":"962","DOI":"10.1021\/la0481389","volume":"21","author":"SE Collins","year":"2005","unstructured":"Collins, S. E., Baltanas, M. A. & Bonivardi, A. L. Hydrogen chemisorption on gallium oxide polymorphs. Langmuir 21, 962\u2013970 (2005).","journal-title":"Langmuir"},{"key":"44711_CR23","doi-asserted-by":"publisher","first-page":"258","DOI":"10.1016\/j.jcat.2016.11.029","volume":"345","author":"J Vecchietti","year":"2017","unstructured":"Vecchietti, J. et al. Insights on hydride formation over cerium-gallium mixed oxides: A mechanistic study for efficient H2 dissociation. J. Catal. 345, 258\u2013269 (2017).","journal-title":"J. Catal."},{"key":"44711_CR24","doi-asserted-by":"publisher","first-page":"1906","DOI":"10.1016\/S1872-2067(20)63627-0","volume":"41","author":"Z-Q Huang","year":"2020","unstructured":"Huang, Z.-Q., Li, T.-H., Yang, B. & Chang, C.-R. Role of surface frustrated Lewis pairs on reduced CeO2(110) in direct conversion of syngas. Chin. J. Catal. 41, 1906\u20131915 (2020).","journal-title":"Chin. J. Catal."},{"key":"44711_CR25","doi-asserted-by":"publisher","first-page":"9022","DOI":"10.1021\/jp1017423","volume":"114","author":"T Bielz","year":"2010","unstructured":"Bielz, T. et al. Hydrogen on In2O3: Reducibility, bonding, defect formation, and reactivity. J. Phys. Chem. C. 114, 9022\u20139029 (2010).","journal-title":"J. Phys. Chem. C."},{"key":"44711_CR26","doi-asserted-by":"publisher","first-page":"20323","DOI":"10.1021\/acs.jpcc.8b05251","volume":"122","author":"G Hu","year":"2018","unstructured":"Hu, G., Wu, Z. & Jiang, D.-E. First principles insight into H2 activation and hydride species on TiO2 surfaces. J. Phys. Chem. C. 122, 20323\u201320328 (2018).","journal-title":"J. Phys. Chem. C."},{"key":"44711_CR27","doi-asserted-by":"publisher","first-page":"6626","DOI":"10.1021\/ja00516a024","volume":"101","author":"RJ Klingler","year":"2002","unstructured":"Klingler, R. J., Mochida, K. & Kochi, J. K. Mechanism of hydrogen transfer from metal hydrides. J. Am. Chem. Soc. 101, 6626\u20136637 (2002).","journal-title":"J. Am. Chem. Soc."},{"key":"44711_CR28","doi-asserted-by":"publisher","first-page":"353","DOI":"10.1021\/acs.jpclett.7b03098","volume":"9","author":"OS Fjellvag","year":"2018","unstructured":"Fjellvag, O. S., Armstrong, J., Vajeeston, P. & Sjastad, A. O. New insights into hydride bonding, dynamics, and migration in La2LiHO3. oxyhydride. J. Phys. Chem. Lett. 9, 353\u2013358 (2018).","journal-title":"oxyhydride. J. Phys. Chem. Lett."},{"key":"44711_CR29","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-36044-8","volume":"14","author":"Y Liu","year":"2023","unstructured":"Liu, Y. et al. Direct observation of accelerating hydrogen spillover via surface-lattice-confinement effect. Nat. Commun. 14, 613 (2023).","journal-title":"Nat. Commun."},{"key":"44711_CR30","doi-asserted-by":"publisher","first-page":"3315","DOI":"10.1039\/D0CS00814A","volume":"50","author":"S Chen","year":"2021","unstructured":"Chen, S. et al. Propane dehydrogenation: catalyst development, new chemistry, and emerging technologies. Chem. Soc. Rev. 50, 3315\u20133354 (2021).","journal-title":"Chem. Soc. Rev."},{"key":"44711_CR31","doi-asserted-by":"publisher","first-page":"320","DOI":"10.1038\/nchem.1873","volume":"6","author":"F Studt","year":"2014","unstructured":"Studt, F. et al. Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol. Nat. Chem. 6, 320\u2013324 (2014).","journal-title":"Nat. Chem."},{"key":"44711_CR32","first-page":"012056","volume":"712","author":"M Akatsuka","year":"2016","unstructured":"Akatsuka, M. et al. XAFS analysis for quantification of the gallium coordinations in Al2O3-supported Ga2O3 photocatalysts. J. Phys: Conf. Ser. 712, 012056 (2016).","journal-title":"J. Phys: Conf. Ser."},{"key":"44711_CR33","doi-asserted-by":"publisher","first-page":"5692","DOI":"10.1021\/acscatal.9b01097","volume":"9","author":"F Polo-Garzon","year":"2019","unstructured":"Polo-Garzon, F., Bao, Z. H., Zhang, X. Y., Huang, W. X. & Wu, Z. L. Surface reconstructions of metal oxides and the consequences on catalytic chemistry. ACS Catal. 9, 5692\u20135707 (2019).","journal-title":"ACS Catal."},{"key":"44711_CR34","doi-asserted-by":"publisher","first-page":"171","DOI":"10.1016\/j.susc.2004.11.018","volume":"575","author":"EA Gonzalez","year":"2005","unstructured":"Gonzalez, E. A. et al. Hydrogen adsorption on \u03b2-Ga2O3(100) surface containing oxygen vacancies. Surf. Sci. 575, 171\u2013180 (2005).","journal-title":"Surf. Sci."},{"key":"44711_CR35","doi-asserted-by":"publisher","first-page":"5498","DOI":"10.1021\/jp055594c","volume":"110","author":"SE Collins","year":"2006","unstructured":"Collins, S. E., Baltanas, M. A. & Bonivardi, A. L. Infrared spectroscopic study of the carbon dioxide adsorption on the surface of Ga2O3. Polymorphs. J. Phys. Chem. B 110, 5498\u20135507 (2006).","journal-title":"Polymorphs. J. Phys. Chem. B"},{"key":"44711_CR36","doi-asserted-by":"publisher","first-page":"2038","DOI":"10.1007\/s11426-022-1361-9","volume":"65","author":"Y Wang","year":"2022","unstructured":"Wang, Y., Pei, C., Zhao, Z.-J. & Gong, J. Kinetically rate-determining step modulation by metal-support interactions for CO oxidation on Pt\/CeO2. Sci. China Chem. 65, 2038\u20132044 (2022).","journal-title":"Sci. China Chem."},{"key":"44711_CR37","doi-asserted-by":"publisher","first-page":"4707","DOI":"10.1021\/acscatal.2c00584","volume":"12","author":"DR Aireddy","year":"2022","unstructured":"Aireddy, D. R. & Ding, K. Heterolytic dissociation of H2 in heterogeneous catalysis. ACS Catal. 12, 4707\u20134723 (2022).","journal-title":"ACS Catal."},{"key":"44711_CR38","doi-asserted-by":"publisher","first-page":"8463","DOI":"10.1021\/acs.chemrev.6b00082","volume":"116","author":"C Coperet","year":"2016","unstructured":"Coperet, C., Estes, D. P., Larmier, K. & Searles, K. Isolated surface hydrides: formation, structure, and reactivity. Chem. Rev. 116, 8463\u20138505 (2016).","journal-title":"Chem. Rev."},{"key":"44711_CR39","doi-asserted-by":"publisher","first-page":"5268","DOI":"10.1002\/chem.202005374","volume":"27","author":"Z Li","year":"2021","unstructured":"Li, Z. et al. Interaction of hydrogen with ceria: Hydroxylation, reduction, and hydride formation on the surface and in the bulk. Chem. Eur. J. 27, 5268\u20135276 (2021).","journal-title":"Chem. Eur. J."},{"key":"44711_CR40","doi-asserted-by":"publisher","first-page":"1397","DOI":"10.1039\/b800519b","volume":"11","author":"M Calatayud","year":"2009","unstructured":"Calatayud, M., Collins, S. E., Baltanas, M. A. & Bonivardi, A. L. Stability of formate species on beta-Ga2O3. Phys. Chem. Chem. Phys. 11, 1397\u20131405 (2009).","journal-title":"Phys. Chem. Chem. Phys."},{"key":"44711_CR41","doi-asserted-by":"publisher","first-page":"6275","DOI":"10.1021\/acscatal.6b01295","volume":"6","author":"D Heyl","year":"2016","unstructured":"Heyl, D., Rodemerck, U. & Bentrup, U. Mechanistic study of low-temperature CO2 hydrogenation over modified Rh\/Al2O3 catalysts. ACS Catal. 6, 6275\u20136284 (2016).","journal-title":"ACS Catal."},{"key":"44711_CR42","doi-asserted-by":"publisher","first-page":"1710","DOI":"10.1007\/s11426-019-9590-6","volume":"62","author":"GS Wang","year":"2019","unstructured":"Wang, G. S. et al. Active sites in CO2 hydrogenation over confined VOx-Rh catalysts. Sci. China Chem. 62, 1710\u20131719 (2019).","journal-title":"Sci. China Chem."},{"key":"44711_CR43","doi-asserted-by":"publisher","first-page":"12370","DOI":"10.1021\/acscatal.0c03257","volume":"10","author":"G Li","year":"2020","unstructured":"Li, G. et al. Role of SAPO-18 acidity in direct syngas conversion to light olefins. ACS Catal. 10, 12370\u201312375 (2020).","journal-title":"ACS Catal."},{"key":"44711_CR44","doi-asserted-by":"publisher","first-page":"176","DOI":"10.1016\/j.apcata.2017.08.036","volume":"547","author":"E Epelde","year":"2017","unstructured":"Epelde, E. et al. SAPO-18 and SAPO\u221234 catalysts for propylene production from the oligomerization-cracking of ethylene or 1-butene. Appl. Catal., A 547, 176\u2013182 (2017).","journal-title":"Appl. Catal., A"},{"key":"44711_CR45","doi-asserted-by":"publisher","first-page":"19523","DOI":"10.1021\/jacs.0c07195","volume":"142","author":"C Yang","year":"2020","unstructured":"Yang, C. et al. Strong Electronic Oxide-Support Interaction over In2O3\/ZrO2 for Highly Selective CO2 Hydrogenation to Methanol. J. Am. Chem. Soc. 142, 19523\u201319531 (2020).","journal-title":"J. Am. Chem. Soc."},{"key":"44711_CR46","doi-asserted-by":"publisher","first-page":"1037","DOI":"10.1016\/j.apsusc.2018.05.216","volume":"455","author":"Z Xiao","year":"2018","unstructured":"Xiao, Z. et al. Tuning oxygen vacancies on mesoporous ceria nanorods by metal doping: Controllable magnetic property. Appl. Surf. Sci. 455, 1037\u20131044 (2018).","journal-title":"Appl. Surf. Sci."},{"key":"44711_CR47","doi-asserted-by":"publisher","first-page":"6128","DOI":"10.1007\/s12274-022-5092-x","volume":"16","author":"Z Wang","year":"2022","unstructured":"Wang, Z. et al. The role of CO2 dissociation in CO2 hydrogenation to ethanol on CoCu\/silica catalysts. Nano Res. 16, 6128\u20136133 (2022).","journal-title":"Nano Res."},{"key":"44711_CR48","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":"44711_CR49","doi-asserted-by":"publisher","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"PE Bl\u00f6chl","year":"1994","unstructured":"Bl\u00f6chl, P. E. Projector augmented-wave method. Phys. Rev. B: Condens. Matter Mater. Phys. 50, 17953\u201317979 (1994).","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"44711_CR50","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: Condens. Matter Mater. Phys. 59, 1758\u20131775 (1999).","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"44711_CR51","doi-asserted-by":"publisher","first-page":"818","DOI":"10.1038\/s41929-022-00840-0","volume":"5","author":"H Zhao","year":"2022","unstructured":"Zhao, H. et al. The role of Cu1\u2013O3 species in single-atom Cu\/ZrO2 catalyst for CO2 hydrogenation. Nat. Catal. 5, 818\u2013831 (2022).","journal-title":"Nat. Catal."},{"key":"44711_CR52","doi-asserted-by":"publisher","first-page":"13244","DOI":"10.1103\/PhysRevB.45.13244","volume":"45","author":"JP Perdew","year":"1992","unstructured":"Perdew, J. P. & Wang, Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B 45, 13244 (1992).","journal-title":"Phys. Rev. B"},{"key":"44711_CR53","doi-asserted-by":"publisher","first-page":"10113","DOI":"10.1039\/D0SC03918G","volume":"11","author":"S Ma","year":"2020","unstructured":"Ma, S., Shang, C., Wang, C.-M. & Liu, Z.-P. Thermodynamic rules for zeolite formation from machine learning based global optimization. Chem. Sci. 11, 10113\u201310118 (2020).","journal-title":"Chem. Sci."}],"container-title":["Nature Communications"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/s41467-024-44711-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41467-024-44711-7","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41467-024-44711-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T15:02:42Z","timestamp":1705330962000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/s41467-024-44711-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,1,15]]},"references-count":53,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2024,12]]}},"alternative-id":["44711"],"URL":"https:\/\/doi.org\/10.1038\/s41467-024-44711-7","relation":{},"ISSN":["2041-1723"],"issn-type":[{"value":"2041-1723","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,1,15]]},"assertion":[{"value":"20 July 2023","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"2 January 2024","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"15 January 2024","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":"540"}}