Modeling Anion Poisoning during Oxygen Reduction on Pt Near-Surface Alloys [Dataset]

32 pages. -- Experimental details. -- Computational details. -- Calculating binding energies. -- Calculating ORR activity

Detalles Bibliográficos
Autores:	Petersen, Amanda S., Jensen, Kim D., Wan, Hao, Bagger, Alexander, Chorkendorff, Ib, Stephens, Ifan E. L., Rossmeisl, Jan, Escudero-Escribano, María
Tipo de recurso:	conjunto de datos
Fecha de publicación:	2023
País:	España
Institución:	Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:	DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:	oai:digital.csic.es:10261/337140
Acceso en línea:	http://hdl.handle.net/10261/337140
Access Level:	acceso abierto
Palabra clave:	Direct scaling relationship Fold binding sites Modeling anion poisoning Phosphate anions limit Oh adsorption even Surface site blockage Subsurface cu content Oxygen reduction reaction Oh binding energies Phosphate anion poisoning Adsorbed phosphate species Oxygen reduction Oh binding Poisoning phosphate Phosphate species Work shows Thus allowing Results display Predominantly governed Poisoning effect Low overpotentials

Descripción
Sumario:	32 pages. -- Experimental details. -- Computational details. -- Calculating binding energies. -- Calculating ORR activity