Cargando…
Embedding Group VIII Elements into a 2D Rigid pc-C(3)N(2) Monolayer to Achieve Single-Atom Catalysts with Excellent OER Activity: A DFT Theoretical Study
Under DFT calculations, a systematic investigation is carried out to explore the structures and oxygen evolution reaction (OER) catalytic activities of a series of 2D single-atom catalyst (SAC) systems, which are constructed by doping the transition metal (TM) atoms in group VIII into the cavities o...
Autores principales: | Wang, Qingxian, Yang, E, Liu, Ran, Lv, Mingyue, Zhang, Wei, Yu, Guangtao, Chen, Wei |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9821954/ https://www.ncbi.nlm.nih.gov/pubmed/36615448 http://dx.doi.org/10.3390/molecules28010254 |
Ejemplares similares
-
Theoretical Study on the High HER/OER Electrocatalytic Activities of 2D GeSi, SnSi, and SnGe Monolayers and Further Improvement by Imposing Biaxial Strain or Doping Heteroatoms
por: Li, Cuimei, et al.
Publicado: (2022) -
Theoretical Investigation of HER and OER Electrocatalysts Based on the 2D R-graphyne Completely Composed of Anti-Aromatic Carbon Rings
por: Li, Cuimei, et al.
Publicado: (2023) -
Reactive oxygen species in iridium-based OER catalysts
por: Pfeifer, Verena, et al.
Publicado: (2016) -
Layer-dependent excellent thermoelectric materials: from monolayer to trilayer tellurium based on DFT calculation
por: Zhang, Kexin, et al.
Publicado: (2023) -
Al-Decorated C(2)N Monolayer as a Potential Catalyst for NO Reduction with CO Molecules: A DFT Investigation
por: Liu, Xinmiao, et al.
Publicado: (2022)