Autor segons l'article: Elliott, Alexander; McAllister, James; Masaityte, Liudvika; Segado-Centellas, Mireia; Long, De-Liang; Ganin, Alexey Y; Song, Yu-Fei; Bo, Carles; Miras, Haralampos N
Departament: Química Física i Inorgànica
Autor/s de la URV: Bo Jané, Carles
Paraules clau: Anio; Evolution; Mos2
Resum: Molecular metal chalcogenides have attracted great attention as electrocatalysts for the hydrogen evolution reaction (HER). However, efficient utilisation of the active sites and catalytic performance modulation has been challenging. Here we explore the design of immobilized molecular molybdenum polyselenides [Mo2O2S2(Se-2)(Se-x)](2-) that exhibit efficient hydrogen evolution at low overpotential and stability over 1000 cycles. Density functional calculations provide evidence of a unimolecular mechanism in the HER process via the exploration of viable reaction pathways. The discussed findings are of a broad interest in the development of efficient molecular electrocatalytic materials.
Àrees temàtiques: Astronomia / física; Biodiversidade; Biotecnología; Catalysis; Ceramics and composites; Chemistry; Chemistry (all); Chemistry (miscellaneous); Chemistry, multidisciplinary; Ciências agrárias i; Ciências ambientais; Ciências biológicas i; Ciências biológicas ii; Ciências biológicas iii; Electronic, optical and magnetic materials; Engenharias i; Engenharias ii; Engenharias iii; Engenharias iv; Farmacia; General chemistry; General medicine; Interdisciplinar; Materiais; Materials chemistry; Medicina i; Medicina ii; Metals and alloys; Química; Surfaces, coatings and films
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: carles.bo@urv.cat
Data d'alta del registre: 2025-02-19
Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
Enllaç font original: https://pubs.rsc.org/en/content/articlelanding/2022/cc/d2cc01226j
Referència a l'article segons font original: Chemical Communications. 58 (49): 6906-6909
Referència de l'ítem segons les normes APA: Elliott, Alexander; McAllister, James; Masaityte, Liudvika; Segado-Centellas, Mireia; Long, De-Liang; Ganin, Alexey Y; Song, Yu-Fei; Bo, Carles; Miras (2022). Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation. Chemical Communications, 58(49), 6906-6909. DOI: 10.1039/d2cc01226j
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
DOI de l'article: 10.1039/d2cc01226j
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2022
Tipus de publicació: Journal Publications
Repositori URV