RT Journal Article
T1 Hydrogen absorption boosting in mildly annealed bulk MoS2
A1 Obando Guevara, Jairo
A1 González García, Álvaro
A1 Rosmus, Marcin
A1 Olszowska, Natalia
A1 González Pascual, César
A1 Moron Navarrete, Guillermo
A1 Fujii, Jun
A1 Tejeda Gala, Antonio
A1 González Barrio, Miguel Ángel
A1 Mascaraque Susunaga, Arantzazu
AB The basal plane of MoS2 has been considered a potential source of active catalytic sites in hydrogen absorption. Sulfur vacancies can activate the inert basal plane of MoS2; however, achieving sufficient catalytic efficiency requires a high defect concentration of about 12%. We investigated the effect of defects on the hydrogen adsorption on the basal plane of MoS2 using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations. Mild annealing in terms of temperature and time effectively introduces single sulfur vacancy (VS) defects, as observed from the electronic structural changes that are in excellent agreement with DFT calculations for a VS concentration of ∼4%. Subsequent exposure to molecular hydrogen showed that the higher hydrogen pressure facilitates hydrogen adsorption, as predicted by theoretical calculations. Interestingly, hydrogen exposure restores the electronic structure to a state similar to that of pristine MoS2. These results suggest that the controlled introduction of VS defects via annealing is a promising strategy for enhancing hydrogen adsorption on MoS2, paving the way for its potential use in future catalytic applications.
PB Royal Society of Chemistry
SN 2050-7488
YR 2024
FD 2024
LK https://hdl.handle.net/20.500.14352/108088
UL https://hdl.handle.net/20.500.14352/108088
LA eng
NO J. Obando-Guevara, Á. González-García, M. Rosmus, N. Olszowska, C. González, G. Morón-Navarrete, J. Fujii, A. Tejeda, M. Á. González-Barrio and A. Mascaraque, Hydrogen absorption boosting in mildly annealed bulk MoS 2, J. Mater. Chem. A, 2024, 12, 24694–24701.
NO Advance Article 	20 Jul 2024NT-09-618999DIMAG project from 2019 FLAG-ERA callCT82/20–CT83/ 201/ SOL/2021/2FI2023-2-0022FI-2023-1-0016
NO Ministerio de Ciencia, Innovación y Universidades (España)
NO Comunidad de Madrid
NO Agence Nationale de la Recherche (Francia)
NO Universidad Complutense de Madrid (España)
NO Banco de Santander (España)
NO Ministry of Science and Higher Education (Polonia)
NO Red Española de Supercomputación
DS Docta Complutense
RD 29 abr 2025