First-principles insights into the C6N7 monolayer as a highly efficient sensor and scavenger for the detection of selective volatile organic compounds DOI Creative Commons

Ruishan Zhang,

Zihao Wang, Qihua Hou

и другие.

RSC Advances, Год журнала: 2023, Номер 13(41), С. 28703 - 28712

Опубликована: Янв. 1, 2023

The design of new gas sensors and scavengers volatile organic compounds (VOCs) is desirable for VOC enriching, separation utilization.

Язык: Английский

Adsorption behaviors, electronic and gas-sensing properties of C3N4 monolayers and heterojunctions for SF6 decomposition products DOI
Xiaobo Yuan, Yongliang Yong, Qihua Hou

и другие.

Applied Surface Science, Год журнала: 2023, Номер 626, С. 157090 - 157090

Опубликована: Март 21, 2023

Язык: Английский

Процитировано

53
Investigation strain effects on the electronic, optical, and output performance of the novel inorganic halide perovskite Sr3SbI3 solar cell DOI
Md. Shoriful Islam, Md. Ferdous Rahman, Md. Rasidul Islam

и другие.

Chinese Journal of Physics, Год журнала: 2024, Номер 88, С. 270 - 286

Опубликована: Янв. 6, 2024

Язык: Английский

Процитировано

51
CxNy-based materials as gas sensors: Structure, performance, mechanism and perspective DOI Creative Commons

Mengshan Chen,

Haoran Zhang, Hui Li

и другие.

Coordination Chemistry Reviews, Год журнала: 2024, Номер 503, С. 215653 - 215653

Опубликована: Янв. 9, 2024

Carbon nitride (CxNy) materials, characterized by an ordered two-dimensional without metal ions structure high N:C ratio, phase transition transformation, predispose them for promising applications in catalytic reaction, flexible electronics, broadband photodetectors and battery. However, up to now, its potential advantages gas sensor have yet be fully explored. This review provides a comprehensive overview of recent advances CxNy-based materials applied as substrates covering structure, properties, synthesis methods, enhancement strategies. A rigorous assessment their sensing capabilities, including sensitivity, selectivity, stability was critically summarized. Additionally, the molecule-level mechanistic aspects underlying gas-sensing working principles insights into functional properties were discussed. Furthermore, thorough investigations utilizing density theory (DFT) studies, aimed illuminating fundamental governing behavior presented detail. Finally, futuristic along with challenges CxNy deliberated herein.

Язык: Английский

Процитировано

40
Noble metal (Pd, Pt)-functionalized WSe2 monolayer for adsorbing and sensing thermal runaway gases in LIBs: a first-principles investigation DOI
Hao Cui, Hailong Wu, Dan He

и другие.

Environmental Research, Год журнала: 2025, Номер unknown, С. 120847 - 120847

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

27
First principles investigations of Cobalt and Manganese doped boron nitride nanosheet for gas sensing application DOI
Mohammad Tanvir Ahmed, Sayedul Hasan, Shariful Islam

и другие.

Applied Surface Science, Год журнала: 2023, Номер 623, С. 157083 - 157083

Опубликована: Март 21, 2023

Язык: Английский

Процитировано

40
First-principles study of halide double perovskite Cs2SnX6 (X=Cl, Br, I) for solar cell applications DOI
Mohamed Khuili, Ahmed Ouhammou, Nejma Fazouan

и другие.

Modern Physics Letters B, Год журнала: 2023, Номер 38(01)

Опубликована: Авг. 14, 2023

In this work, we used different approximations, namely the GGA and LDA of density functional theory framework, to investigate properties double perovskite Cs 2 SnX 6 ([Formula: see text], Br, I). We found that these materials are mechanically stable, calculated band gaps 3.62[Formula: text]eV for SnCl , 2.33[Formula: SnBr 1.00[Formula: SnI which agree well with experimental results. The structure reveals conduction primarily arises from hybridization between Sn-5s orbitals halogen p orbitals, while valence is predominantly composed orbitals. Additionally, observed all compounds exhibit strong optical absorption in ultraviolet region. Moreover, spectra edges shift toward red . thermoelectric have also been extensively characterized study. These favorable physical characteristics make attractive candidates replacing expensive silicon cells solar panels.

Язык: Английский

Процитировано

31
Insitu controllable synthesis of MoO3 nanoflakes and its temperature-dependent dual selectivity for detection of ethanol and isopropanol DOI
Wen Li, Hao Xu,

Aiwu Wang

и другие.

Sensors and Actuators B Chemical, Год журнала: 2024, Номер 408, С. 135548 - 135548

Опубликована: Фев. 27, 2024

Язык: Английский

Процитировано

13
Exploration on the application of copper oxide particles doped janus ZrSSe in detecting dissolved gases in oil-immersed transformers: A DFT study DOI
Hao Wu, Jie Fang, Shuai Yuan

и другие.

Materials Today Chemistry, Год журнала: 2024, Номер 38, С. 102038 - 102038

Опубликована: Апрель 10, 2024

Язык: Английский

Процитировано

12
The design of CN/C3N2 heterostructures and the potential as gas sensor and scavenger for SF6 decomposed gases DOI
Xiaobo Yuan, Yongliang Yong, Qihua Hou

и другие.

Surfaces and Interfaces, Год журнала: 2024, Номер 50, С. 104532 - 104532

Опубликована: Май 25, 2024

Язык: Английский

Процитировано

11
Adsorption and gas sensing properties of Pdn(n=1–3) cluster-modified PtSe2 on transformer fault characterizing gases under biaxial strain and electric field DOI

Sirun Tan,

Rui Li,

Haoxiang Yuan

и другие.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Год журнала: 2024, Номер 697, С. 134500 - 134500

Опубликована: Июнь 12, 2024

Язык: Английский

Процитировано

11