Exploring the electron density localization in MoS2 nanoparticles using a localized-electron detector: Unraveling the origin of the one-dimensional metallic sites on MoS2 catalysts-Reference-Cited by-同舟云学术

Exploring the electron density localization in MoS2 nanoparticles using a localized-electron detector: Unraveling the origin of the one-dimensional metallic sites on MoS2 catalysts

Published:2018 Issue:31 Volume:20 Page:20417-20426
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Aray Yosslen¹²³⁴⁵^ORCID,Barrios Antonio Díaz⁶⁷⁸⁹¹⁰

Affiliation:

1. Universidad de Ciencias Aplicadas y Ambientales

2. UDCA

3. Facultad de Ciencias

4. Campus Universitario Norte

5. Bogotá

6. Escuela de Ciencias Química e Ingeniería

7. Yachay Tech

8. Ciudad del Conocimiento de Yachay

9. Urcuquí

10. Ecuador

Abstract

The nature of the electron density localization in two MoS₂ nanoclusters containing eight rows of Mo atoms, one with 100% sulphur coverage at the Mo edges (n8_100S) and the other with 50% coverage (n8_50S) was studied using a localized-electron detector function defined in the local moment representation.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03387K

Reference63 articles.

1. Tweaking the magnetism of MoS2 nanoribbon with hydrogen and carbon passivation

2. MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties

3. Theoretical Study of the Mechanical Behavior of Individual TiS2and MoS2Nanotubes

4. Strain-induced magnetism in MoS2 monolayer with defects

5. Controlling magnetism of MoS2 sheets by embedding transition-metal atoms and applying strain

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