Electronic structure of reduced CeO2(111) surfaces interacting with hydrogen as revealed through electron energy loss spectroscopy in comparison with theoretical investigations

Joachim Paier1, Connie J. Nelin2, Paul S. Bagus3, Agata Plucienik4, Helmut Kuhlenbeck4, Hans-Joachim Freund4
1Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, 10099 Berlin, Germany
26008 Maury’s Trail, Austin, TX, 78730, USA
3Department of Chemistry, University of North Texas, Denton, TX, 76203-5017, USA
4Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

Tài liệu tham khảo

Plummer, 1970, Phys. Rev. Lett., 25, 1493, 10.1103/PhysRevLett.25.1493 Plummer, 1977, Science, 198, 165, 10.1126/science.198.4313.165 Ho, 1978, Phys. Rev. Lett., 40, 1463, 10.1103/PhysRevLett.40.1463 Salaneck, 1980, Phys. Rev. Lett., 45, 280, 10.1103/PhysRevLett.45.280 Freund, 1983, Phys. Rev. Lett., 50, 768, 10.1103/PhysRevLett.50.768 Zhang, 2019, Phys. Rev. Lett., 122 Guo, 2017, PNAS, 114, E5062 Trovarelli, 2013 Paál, 1988 Norby, 2004, Dalton Trans., 3012, 10.1039/B403011G Mas-Ballesté, 2013, 9.27 - H–H bond activation, 727 Vilé, 2012, Angew. Chem. Int. Ed., 51, 8620, 10.1002/anie.201203675 Carrasco, 2014, J. Phys. Chem. C, 118, 5352, 10.1021/jp410478c Vilé, 2014, Angew. Chem. Int. Ed., 53, 12069, 10.1002/anie.201406637 Vilé, 2015, J. Catal., 324, 69, 10.1016/j.jcat.2015.01.020 Cao, 2018, Phys. Chem. Chem. Phys., 20, 9659, 10.1039/C8CP00668G Cao, 2020, Appl. Surf. Sci., 501 Moon, 2020, ACS Catal., 10, 5278, 10.1021/acscatal.0c00808 Henrich, 1994 Fierro, 2006 Copéret, 2016, Chem. Rev., 116, 8463, 10.1021/acs.chemrev.6b00082 Binet, 1999, Catal. Today, 50, 207, 10.1016/S0920-5861(98)00504-5 Sohlberg, 2001, J. Am. Chem. Soc., 123, 6609, 10.1021/ja004008k Huang, 2018, ACS Catal., 8, 546, 10.1021/acscatal.7b02732 Riley, 2018, J. Am. Chem. Soc., 140, 12964, 10.1021/jacs.8b07789 Nolan, 2006, Solid State Ion., 177, 3069, 10.1016/j.ssi.2006.07.045 García-Melchor, 2014, J. Phys. Chem. C, 118, 10921, 10.1021/jp502309r Fernández-Torre, 2014, J. Chem. Phys., 141, 10.1063/1.4885546 Chen, 2013, J. Phys. Chem. C, 117, 5800, 10.1021/jp312406f Gao, 2015, Phys. Chem. Chem. Phys., 17, 31862, 10.1039/C5CP04570C Li, 2021, Chem. Eur. J., 27, 5268, 10.1002/chem.202005374 Livneh, 2020, J. Phys. Chem. C, 124, 28018, 10.1021/acs.jpcc.0c06689 Wu, 2017, J. Am. Chem. Soc., 139, 9721, 10.1021/jacs.7b05492 Werner, 2017, J. Am. Chem. Soc., 139, 17608, 10.1021/jacs.7b10021 Li, 2019, Angew. Chem. Int. Ed., 58, 14686, 10.1002/anie.201907117 Schweke, 2020, J. Phys. Chem. C, 124, 6180, 10.1021/acs.jpcc.9b11975 Li, 2011, Chem. Commun., 47, 6105, 10.1039/c1cc11226k Li, 2019, Angew. Chem. Int. Ed., 58, 14686, 10.1002/anie.201907117 Kresse, 1996, Comput. Mater. Sci., 6, 15, 10.1016/0927-0256(96)00008-0 Da Silva, 2007, Phys. Rev. B, 75 Paier, 2013, Chem. Rev., 113, 3949, 10.1021/cr3004949 Paier, 2016, Catal. Lett., 146, 861, 10.1007/s10562-016-1735-4 Pacchioni, 2008, J. Chem. Phys., 128, 10.1063/1.2819245 de Graaf, 1998, J. Mol. Struct., 458, 53, 10.1016/S0166-1280(98)00348-0 Gendron, 2017, J. Phys. Chem. Lett., 8, 673, 10.1021/acs.jpclett.6b02968 Bagus, 2013, Surf. Sci. Rep., 68, 273, 10.1016/j.surfrep.2013.03.001 Bagus, 2018, Catal. Lett., 148, 1785, 10.1007/s10562-018-2417-1 Nelin, 2014, RSC Adv., 4, 7148, 10.1039/C3RA46738D Bagus, 2017, J. Chem. Phys., 147, 10.1063/1.5006223 Ashcroft, 1976 Wu, 2018, Rev. Sci. Intrum., 89 Vattuone, 2013, High Resolution Electron Energy Loss Spectroscopy (HREELS): a sensitive and versatile surface tool, 499 Wyckoff, 1963 Saue, 2020, J. Chem. Phys., 152, 10.1063/5.0004844 Kresse, 1996, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169 Kresse, 1999, Phys. Rev. B, 59, 1758, 10.1103/PhysRevB.59.1758 Blöchl, 1994, Phys. Rev. B, 50, 17953, 10.1103/PhysRevB.50.17953 Shishkin, 2006, Phys. Rev. B, 74, 10.1103/PhysRevB.74.035101 Onida, 2002, Rev. Mod. Phys., 74, 601, 10.1103/RevModPhys.74.601 Gajdoš, 2006, Phys. Rev. B, 73, 10.1103/PhysRevB.73.045112 Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865 Paier, 2006, J. Chem. Phys., 124, 10.1063/1.2187006 Krukau, 2006, J. Chem. Phys., 125, 10.1063/1.2404663 Heyd, 2003, J. Chem. Phys., 118, 8207, 10.1063/1.1564060 Hay, 2006, J. Chem. Phys., 125, 10.1063/1.2206184 Ganduglia-Pirovano, 2007, Surf. Sci. Rep., 62, 219, 10.1016/j.surfrep.2007.03.002 Henzler, 1994 Thiry, 1987, Phys. Scr., 35, 368, 10.1088/0031-8949/35/3/024 Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188 Dudarev, 1998, Phys. Rev. B, 57, 1505, 10.1103/PhysRevB.57.1505 Fabris, 2005, J. Phys. Chem. B, 109, 22860, 10.1021/jp0511698 Fabris, 2005, Phys. Rev. B, 71, 10.1103/PhysRevB.71.041102 Fabris, 2005, Phys. Rev. B, 72, 10.1103/PhysRevB.72.237102 Castleton, 2007, J. Chem. Phys., 127, 10.1063/1.2800015 Heyden, 2005, J. Chem. Phys., 123, 10.1063/1.2104507 Grimme, 2006, J. Comput. Chem., 27, 1787, 10.1002/jcc.20495 Penschke, 2013, J. Chem. Phys. C, 117, 5274, 10.1021/jp400520j Ganduglia-Pirovano, 2009, Phys. Rev. Lett., 102, 10.1103/PhysRevLett.102.026101 Li, 2009, Phys. Rev. B, 79 Pfau, 1994, Surf. Sci., 321, 71, 10.1016/0039-6028(94)90027-2 Jerratsch, 2011, Phys. Rev. Lett., 106, 10.1103/PhysRevLett.106.246801 Shao, 2011, Phys. Chem. Chem. Phys., 13, 12646, 10.1039/c1cp21113g Paier, 2008, Phys. Rev. B, 78, 10.1103/PhysRevB.78.121201 Bassani, 1975, Vol. 8 Harris, 1992 Henderson, 2011, Phys. Status Solidi B, 248, 767, 10.1002/pssb.201046303 Murgida, 2014, Phys. Rev. B, 90, 10.1103/PhysRevB.90.115120 Jerratsch, 2011, Phys. Rev. Lett., 106, 10.1103/PhysRevLett.106.246801 Esch, 2005, Science, 309, 752, 10.1126/science.1111568 Conesa, 2009, Catal. Today, 143, 315, 10.1016/j.cattod.2008.11.005 Negreiros, 2015, J. Phys. Chem. C, 119, 21567, 10.1021/acs.jpcc.5b07030 Matz, 2018, ACS Omega, 3, 16063, 10.1021/acsomega.8b02410 X. Li; J. Paier; J. Sauer, in https://arxiv.org/abs/1904.13200, 2019. Persson, 1980, Surf. Sci., 92, 265, 10.1016/0039-6028(80)90257-5 Moore, 1952 Lykke, 1991, Phys. Rev. A, 43, 6104, 10.1103/PhysRevA.43.6104 Dolg, 1989, J. Chem. Phys., 90, 1730, 10.1063/1.456066 Bagus, 2017, J. Chem. Phys., 146 Li, 2021, Chem. Eur. J., 27, 5268, 10.1002/chem.202005374 Cox, 1985, Surf. Sci., 152-153, 784, 10.1016/0039-6028(85)90488-1