Structural, electronic and optical properties of CO adsorbed on the defective anatase TiO 2 (101) surface; a DFT study-Reference-Cited by-同舟云学术

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Structural, electronic and optical properties of CO adsorbed on the defective anatase TiO 2 (101) surface; a DFT study

Published:2017-08 Issue: Volume:1142 Page:11-17
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Rafique Muhammad,Shuai Yong,Hassan Muhammad

Funder

National Natural Science Foundation of China

New Century Excellent Talents in University

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference26 articles.

1. Surface morphology dependent TMA sensing response of spray deposited ZnO thin films

2. Light Energy Conversion and Storage with Soft Carbonaceous Materials that Solidify Mesoscopic Electrochemical Interfaces

3. Synthesis of Anatase TiO2 Nanocrystals with Exposed {001} Facets

4. Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K

5. A DFT study of gas molecules adsorption on the anatase (001) nanotube arrays

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1. Investigation of oxygen vacancy effects on acetic acid adsorption on anatase TiO2 (101);Research on Chemical Intermediates;2024-08-23

2. Tailoring structural and optical properties of ZnO system through elemental Mn Doping through First-principles calculations;Heliyon;2024-07

3. Investigating CO2 capture and direct dissociation through AEM/H2O compounds adsorption on Ti-doped h-BN monolayer system; FPS-MD Calculations;Materials Today Communications;2024-03

4. Understanding the prototype catalyst TiO₂ surface with the help of density functional theory calculation;WIREs Computational Molecular Science;2023-09-02

5. The effect of alkyl chain length on imidazole chloroaluminate ionic liquid/Pt(1 1 1) interface and aluminum deposition: A DFT-D3 study;Chemical Physics;2023-04

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