MXene termination and stacking bias on the reverse water gas shift reaction catalysis

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作者
Morales-García, Ángel [1 ]
Gouveia, José D. [2 ]
López, Anna Vidal [3 ]
Comas-Vives, Aleix [3 ,4 ]
Viñes, Francesc [1 ]
Gomes, José R.B. [2 ]
Illas, Francesc [1 ]
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[1] Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, c/ Martí i Franquès 1-11, Barcelona,08028, Spain
[2] CICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, Campus Universitário de Santiago, Aveiro,3810-193, Portugal
[3] Department of Chemistry, Universitat Autònoma de Barcelona, Cerdanyola del Vallès, Catalonia,08193, Spain
[4] Institute of Materials Chemistry, TU Wien, Vienna,1060, Austria
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10.1016/j.mtcata.2024.100076
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