Electronic structure behavior of PbO2, IrO2, and SnO2 metal oxide surfaces (110) with dissociatively adsorbed water molecules as a function of the chemical potential-Reference-Cited by-同舟云学术

Electronic structure behavior of PbO2, IrO2, and SnO2 metal oxide surfaces (110) with dissociatively adsorbed water molecules as a function of the chemical potential

Published:2021-02-21 Issue:7 Volume:154 Page:074704
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Islas-Vargas Claudia¹^ORCID,Guevara-García Alfredo²^ORCID,Galván Marcelo¹^ORCID

Affiliation:

1. Universidad Autónoma Metropolitana Iztapalapa, Departamento de Química, CP 09340 México, Mexico

2. CONACYT-Universidad Autónoma Metropolitana Iztapalapa, Departamento de Química, CP 09340 México, Mexico

Funder

Consejo Nacional de Ciencia y Tecnología

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0035208

Reference56 articles.

1. The electrochemical interface in first-principles calculations

2. Theory of the Inhomogeneous Electron Gas

3. Thermal Properties of the Inhomogeneous Electron Gas

4. Joint density-functional theory for electronic structure of solvated systems

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Charge transfer interaction revisited by a Fermi-Dirac derived approach;Journal of Molecular Modeling;2024-08-13

2. Redox properties of PbO2, IrO2 and SnO2 (110) surfaces with an adsorbed OH molecule: a chemical reactivity study in the grand canonical ensemble;Theoretical Chemistry Accounts;2024-03-30

3. Constant inner potential DFT for modelling electrochemical systems under constant potential and bias;npj Computational Materials;2024-01-05

4. Electronic modulation of iridium single atomic sites on NiCr layered double hydroxide for an improved electrocatalytic oxygen evolution reaction;Journal of Materials Chemistry A;2024

5. Chemical-Potential-Dependent Thermodynamic Study of Electrochemical Nitric Oxide Reduction to Ammonia on Single-Cluster Catalysts;The Journal of Physical Chemistry C;2022-11-02