Gas Sensing Mechanism and Adsorption Properties of C2H4 and CO Molecules on the Ag3–HfSe2 Monolayer: A First-Principle Study

Gas Sensing Mechanism and Adsorption Properties of C2H4 and CO Molecules on the Ag3–HfSe2 Monolayer: A First-Principle Study

The detection of dissolved gases in oil is an important method for the analysis of transformer fault diagnosis. In this article, the potential-doped structure of the Ag3 cluster on the HfSe2 monolayer and adsorption behavior of CO and C2H4 upon Ag3–HfSe2 were studied theoretically. Herein, the bindi...

Full description

Bibliographic Details
Main Authors:	Lufen Jia, Jianxing Chen, Xiaosen Cui, Zhongchang Wang, Wen Zeng, Qu Zhou
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2022-05-01
Series:	Frontiers in Chemistry
Subjects:	the first-principle study HfSe2 monolayer Ag3 doping gas adsorption transformer oil
Online Access:	https://www.frontiersin.org/articles/10.3389/fchem.2022.911170/full

Similar Items

Strongly enhanced infrared absorption of HfSe2 monolayer by lanthanide doping: A first-principles study
by: Haris Habib, et al.
Published: (2023-05-01)

High‐Sensitive and Fast Speed UV Photodetector Based on HfSe2/InSe Heterostructure
by: Chengcheng Zhang, et al.
Published: (2023-12-01)

Adsorption and Sensing of CO<sub>2</sub>, CH<sub>4</sub> and N<sub>2</sub>O Molecules by Ti-Doped HfSe<sub>2</sub> Monolayer Based on the First-Principle
by: Yingxiang Wang, et al.
Published: (2022-10-01)

A method to evaluate REE-HFSE mineralised provinces by value creation potential, and an example of application: Gardar REE-HFSE province, Greenland
by: Graham J. Banks, et al.
Published: (2020-11-01)

Structures, Electric Properties and STM Images of GeSe Monolayers Doped by Group IV–VI Atoms: A First-Principles Study
by: Hao Ni, et al.
Published: (2023-02-01)

Theoretical screening into Ag-Embedded HfS2 monolayers as gas sensor for detecting SF6 decomposition gases
by: Wenjun Hou, et al.
Published: (2022-05-01)

The Adsorption Effect of Methane Gas Molecules on Monolayer PbSe with and without Vacancy Defects: A First-Principles Study
by: Xing Zhou, et al.
Published: (2023-05-01)

Scavenging and release of REE and HFSE by Na-metasomatism in magmatic-hydrothermal systems
by: Wu-Bin Yang, et al.
Published: (2024-03-01)

High thermoelectric performance in polycrystalline SnSe via dual‐doping with Ag/Na and nanostructuring with Ag8SnSe6
by: Luo, Yubo, et al.
Published: (2020)

First-Principles Study on the Stabilities, Electronic and Optical Properties of Ge<sub>x</sub>Sn<sub>1-x</sub>Se Alloys
by: Qi Qian, et al.
Published: (2018-10-01)

Theoretical Prediction of the Monolayer Hf<sub>2</sub>Br<sub>4</sub> as Promising Thermoelectric Material
by: Qiang Fan, et al.
Published: (2022-06-01)

Influence of Group-IVA Doping on Electronic and Optical Properties of ZnS Monolayer: A First-Principles Study
by: Bin Liu, et al.
Published: (2022-11-01)

Chemical Vapor Deposition of 4 Inch Wafer‐Scale Monolayer MoSe2
by: Jiawei Li, et al.
Published: (2022-11-01)

Pd-GaSe and Pd<sub>3</sub>-GaSe Monolayers: Two Promising Candidates for Detecting Dissolved Gases in Transformer Oil
by: Tianyu Hou, et al.
Published: (2022-06-01)

Effects of noble metal doping on hydrogen sensing performances of monolayer MoS2
by: Zheng Zhang, et al.
Published: (2019-01-01)

Dissolved Gas Analysis in Transformer Oil Using Ni Catalyst Decorated PtSe<sub>2</sub> Monolayer: A DFT Study
by: Zengting Wang, et al.
Published: (2022-07-01)

Remobilization of HFSE, Y, and REE during Diagenetic Alteration of Heavy Minerals in Sandstones from the Chvalčov Site, Flysch Belt of the Outer Western Carpathians, Czech Republic
by: Zdeněk Dolníček, et al.
Published: (2023-12-01)

Stoichiometric Growth of Monolayer FeSe Superconducting Films Using a Selenium Cracking Source
by: Kejing Zhu, et al.
Published: (2022-06-01)

Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures
by: Qiqiang Zhang, et al.
Published: (2022-11-01)

Controllable Doping Characteristics for WS<sub>x</sub>Se<sub>y</sub> Monolayers Based on the Tunable S/Se Ratio
by: Chen Ji, et al.
Published: (2023-07-01)

High Power Factor of Ag<sub>2</sub>Se/Ag/Nylon Composite Films for Wearable Thermoelectric Devices
by: Wenhang Wu, et al.
Published: (2022-11-01)

SnSe Monolayer-Based heavy metal sensors with high Sensitivity, Selectivity, and Reusability: Insights from first principle calculation
by: Jiayin Wu, et al.
Published: (2023-10-01)

Adsorption Characteristics of Carbon Monoxide on Ag- and Au-Doped HfS<sub>2</sub> Monolayers Based on Density Functional Theory
by: Guochao Qian, et al.
Published: (2022-02-01)

Strong Valence Electrons Dependent and Logical Relations of Elemental Impurities in 2D Binary Semiconductor: a Case of GeP3 Monolayer from Ab Initio Studies
by: Suihao Zhang, et al.
Published: (2019-09-01)

Large electron–phonon interactions from FeSe phonons in a monolayer
by: Sinisa Coh, et al.
Published: (2015-01-01)

NO<sub>2</sub> Physical-to-Chemical Adsorption Transition on Janus WSSe Monolayers Realized by Defect Introduction
by: Lin Ju, et al.
Published: (2023-02-01)

Electric Field Controlled Indirect-Direct-Indirect Band Gap Transition in Monolayer InSe
by: Xian-Bo Xiao, et al.
Published: (2019-10-01)

Microstructure, mechanical and tribological behaviors of hard-yet-tough Hf-Ag-N coating
by: Ganggang Wang, et al.
Published: (2023-01-01)

Applicability of large-ion lithophile and high field strength element basalt discrimination diagrams
by: X. L. Liu, et al.
Published: (2018-07-01)

High-Performance Ag<sub>2</sub>Se Film by a Microwave-Assisted Synthesis Method for Flexible Thermoelectric Generators
by: Zixing Wang, et al.
Published: (2023-09-01)

Stabilizing n-type cubic AgBiSe2 thermoelectric materials through alloying with PbS
by: Lai Zhang, et al.
Published: (2024-01-01)

Synthesis of SnTe/AgSbSe2 nanocomposite as a promising lead-free thermoelectric material
by: Jun He, et al.
Published: (2016-06-01)

Growth and Characterization of Vacuum Annealing AgCuInSe2 Thin Film
by: Rana Hameed Athab, et al.
Published: (2022-10-01)

Gas-Sensing Properties of Dissolved Gases in Insulating Material Adsorbed on SnO<sub>2</sub>–GeSe Monolayer
by: Liang-Yan Guo, et al.
Published: (2022-06-01)

n-AgInSe2/p-Si Heteroeklem Diyodunun Sıcaklığa Bağlı Akım-Gerilim Karakteristikleri
by: Durmuş Ali ALDEMİR, et al.
Published: (2018-11-01)

NO gas adsorption properties of MoS2 from monolayer to trilayer: a first-principles study
by: Zhaohua Wang, et al.
Published: (2021-01-01)

High thermoelectric performance in the new cubic semiconductor AgSnSbSe3 by high-entropy engineering
by: Luo, Yubo, et al.
Published: (2020)

Ag-Doped MoSe<sub>2</sub>/ZnO Heterojunctions: A Highly Responsive Gas-Sensitive Material for Selective Detection of NO Based on DFT Study
by: Tao He, et al.
Published: (2023-09-01)

The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation
by: Qi-Zhi Lang, et al.
Published: (2020-01-01)

DFT Calculations of Silver Atom Modified Tungsten Disulfide Monolayer as Promising Sensing Materials for Small Molecular Toxic Gases
by: Qi Zhao, et al.
Published: (2023-11-01)