On the understanding of the optoelectronic properties of S-doped MoO3 and O-doped MoS2 bulk systems: a DFT perspective-Reference-Cited by-同舟云学术

On the understanding of the optoelectronic properties of S-doped MoO3 and O-doped MoS2 bulk systems: a DFT perspective

Published:2020 Issue:26 Volume:8 Page:9064-9074
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Shahrokhi Masoud¹²³⁴⁵,Raybaud Pascal¹²³⁴⁵^ORCID,Le Bahers Tangui¹²³⁴⁵^ORCID

Affiliation:

1. Univ Lyon

2. ENS de Lyon

3. CNRS, Université Claude Bernard Lyon 1

4. Laboratoire de Chimie UMR 5182

5. F-69342 Lyon

Abstract

First-principles calculations were carried out to understand the structure and optoelectronic properties of α-MoO₃ and 2H-MoS₂ bulk systems with anionic isovalent-atom substitutions.

Funder

Agence Nationale de la Recherche

Commissariat Général à l'Investissement

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/TC/D0TC02066D

Reference62 articles.

1. Combined theoretical and experimental characterizations of semiconductors for photoelectrocatalytic applications

2. Full in silico DFT characterization of lanthanum and yttrium based oxynitride semiconductors for solar fuels

3. Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT

4. P. Raybaud and H.Toulhoat , Catalysis by Transition Metal Sulphides – 2013, Technip editions

5. Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution

Cited by 55 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. Highly in-plane anisotropies of mechanical properties and extraordinary sunlight absorption in layered wide bandgap semiconductors: Bi2XO5 (X=Se, Te);Optics & Laser Technology;2025-01

2. Developing a dynamic oxygen migration-release model for enhanced understanding of Ce-materials reactivity;Solid State Ionics;2024-11

3. Investigation on the electrical and photocatalytic properties of t-stanagraphene and SnC-graphene;Materials Science in Semiconductor Processing;2024-11

4. Strain and pH enhanced the photocatalytic properties and hydrogen production of tetragonal boron nitride;Computational and Theoretical Chemistry;2024-11

5. Meeting the Industrial Challenges of CO₂ Photocatalytic Reduction: Moving From Molybdenum Disulfides to Oxysulfides Based Materials?;ChemSusChem;2024-09-10