Theoretical investigation of 4d noble metal (Ru, Rh or Pd) single atom structures influencing surface oxygen behavior on SnO2(1 1 0)

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成果类型：

期刊论文

作者：

Chen, Dachang;Zhao, Jingzhi;Liu, Yihang;Zhang, Cong;Liao, Honghua;...

通讯作者：

Liu, YH;Liao, HH

作者机构：

[Liu, Yihang; Zhang, Cong; Chen, Dachang; Zhao, Jingzhi; Liu, YH] Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.

[Liao, Honghua; Liao, HH] Hubei Minzu Univ, Sch Intelligent Sci & Engn, Enshi 455000, Peoples R China.

[Xiao, Song] Wuhan Univ, Sch Elect Engn & Automat, Wuhan 430072, Peoples R China.

[Zhang, Xiaoxing] Hubei Univ Technol, Key Lab High Efficiency Utilizat Solar Energy & Op, Wuhan 430068, Peoples R China.

通讯机构：

[Liu, YH ] W

[Liao, HH ] H

Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.

Hubei Minzu Univ, Sch Intelligent Sci & Engn, Enshi 455000, Peoples R China.

语种：

英文

关键词：

Density functional theory;Surface oxygen;Kinetics analysis;Sensing mechanism;SnO2(110)

期刊：

Inorganic Chemistry Communications

ISSN：

1387-7003

年：

2024

卷：

169

页码：

113036

DOI：

10.1016/j.inoche.2024.113036

基金类别：

CRediT authorship contribution statement Dachang Chen: Writing – original draft, acquisition, Conceptualization, Writing – review & editing. Jingzhi Zhao: Visualization, Investigation, Data curation. Yihang Liu: Supervision, Project administration, Conceptualization. Cong Zhang: Software, Investigation, Data curation. Honghua Liao: Supervision, Project administration, acquisition. Song Xiao: Software, Resources, acquisition. Xiaoxing Zhang: Software, Methodology, Formal analysis.

机构署名：

本校为第一且通讯机构

院系归属：

电气与电子工程学院

摘要：

Surface oxygen species play a key role in determining the chemi-resistive gas sensing performance of SnO2. Through surface modification, the type of oxygen species at different working temperatures can be modulated, leading to changes in carrier concentration and surface activity. Single atom structures (SAS) hold enormous potential in the gas sensing domain; however, the impact of different SAS on surface oxygen species on SnO2 remains unclear, resulting in inconsistent improvements in sensing properties. This study conducted a theoretical investigation of different 4d noble metal SAS (Ru, Rh...

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Theoretical investigation of 4d noble metal (Ru, Rh or Pd) single atom structures influencing surface oxygen behavior on SnO2(1 1 0)

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