Design of Van Der Waals Heterostructures Composed of G-C3n4 and Ⅲ-Ⅴ Materials for Solar Cell DOI
Jiaxiang Zhao, Lihong Han, Baonan Jia

и другие.

Опубликована: Янв. 1, 2023

As society develops, people pay more attention to the application of solar cell harvest inexhaustible power, which has a benefit greenness and cleanness. In this paper, we construct 14 heterostructures composed g-C3N4 Ⅲ-Ⅴ materials based on first-principles calculations. We systematically analyse their stability property find periodic rule binding energy change about atomic number material. select 9 stable van der Waals (vdWs) further band alignment power conversion efficiency (PCE). CN/GaAs-Gadown is type-Ⅱ heterostructure with indirect gap 1.38 eV PCE reaches 15.2%. The construction effectively promotes optical absorption in visible-spectrum compared two monolayers. This paper analyses constructed vdWs materials, electronic structures potential as cell.

Язык: Английский

Unraveling quantum capacitance in supercapacitors: Energy storage applications DOI
Himalay Kolavada, P. N. Gajjar, Sanjeev K. Gupta

и другие.

Journal of Energy Storage, Год журнала: 2024, Номер 81, С. 110354 - 110354

Опубликована: Янв. 10, 2024

Язык: Английский

Процитировано

30

Density functional theory study of CuO-modified Janus HfSSe monolayer for adsorption and sensing of SF6 decomposition gases DOI
Hang Zhao, Min Huang, Zhiming Shi

и другие.

Chemical Physics Letters, Год журнала: 2025, Номер unknown, С. 141881 - 141881

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

3

Construction of a Z-scheme heterojunction based on two-dimensional Janus materials XWSiN2 (X=S; Se; Te) for effective photocatalytic water splitting by DFT DOI
Yingchao Wang, Yi Wang, Teng‐Teng Chen

и другие.

Surfaces and Interfaces, Год журнала: 2024, Номер 53, С. 105079 - 105079

Опубликована: Сен. 7, 2024

Язык: Английский

Процитировано

4

Optimizing Quantum Capacitance in AsXBr/AsYBr ((X≠Y) = S, Se and Te) Janus-Heterostructures for High-Performance Supercapacitors DOI
Himalay Kolavada, Gaushiya A. Shaikh, P. N. Gajjar

и другие.

Materials Chemistry Frontiers, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

Tailoring the characteristics of AsXBr/AsYBr ((X ≠ Y) = S, Se and Te) Janus heterostructures for advanced supercapacitor applications.

Язык: Английский

Процитировано

3

Enhanced sensing performance of Aun cluster modified BSe nanosheets (Aun-BSe) for trapping non-cyclic and cyclic N containing molecules: A comparative DFT study DOI
Nisar Ahmad Koka, Farag M. A. Altalbawy, Mandeep Kaur

и другие.

Inorganic Chemistry Communications, Год журнала: 2025, Номер unknown, С. 114049 - 114049

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0

Tunning SQ efficiency in MoSSe/WSSe vdW vertical heterostructure: The role of Strain and Electric Fields. DOI

Pradeepsinh J. Jadeja,

Himalay Kolavada, Sanjeev K. Gupta

и другие.

Physica E Low-dimensional Systems and Nanostructures, Год журнала: 2025, Номер unknown, С. 116294 - 116294

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0

Advances in Physics and Chemistry of Transition Metal Dichalcogenide Janus Monolayers: Properties, Applications, and Future Prospects DOI
Rajneesh Chaurasiya,

Shubham Tyagi,

Abhijeet J. Kale

и другие.

Advanced Theory and Simulations, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 9, 2024

Abstract Janus transition metal dichalcogenides (JTMDs) have garnered significant interest from the scientific community owing to their remarkable physical and chemical features. The existence of intrinsic dipoles makes them different conventional dichalcogenides. These properties are useful in various potential applications, including energy storage, generation, other electronic devices. JTMDs considered a hot topic two dimensional (2D) materials research, making it necessary understand fundamental use applications. This review covers difference between dichalcogenide‐based 2D materials. discussion encompasses characteristics monolayer, bilayer, multilayer materials, focusing on structural stability, electronics properties, optical piezoelectricity, Rashba effects. impact external stimuli such as strain electric field toward engineering ground state monolayer is discussed. Additionally, applications monolayers, gas sensors, catalysis, electrochemical thermoelectric, solar cells, effect transistors, highlighted, emphasizing enhancing performance. Finally, prospects for next‐generation devices highlighted.

Язык: Английский

Процитировано

2

Two-dimensional h-BAs/MoXTe (X=S, Se) heterojunctions with high photocatalytic performance and high photoelectric conversion efficiency DOI
Yuliang Mao, Zhiwei Zhang

Sustainable Energy & Fuels, Год журнала: 2024, Номер 8(19), С. 4507 - 4518

Опубликована: Янв. 1, 2024

In this paper, the geometric structures and electronic optical properties of h-BAs/MoXTe (X = S, Se) heterojunctions are systematically investigated based on first-principles calculations.

Язык: Английский

Процитировано

1

Adsorption Properties of Metal Atom (Co, V, W, Zr)-Modified MoTe2 for CO, CH3CHO, and C6H6 Gases: A DFT Study DOI Creative Commons

Weizhong Xiao,

Zixuan Wang, Yingang Gui

и другие.

Molecules, Год журнала: 2024, Номер 29(21), С. 5086 - 5086

Опубликована: Окт. 28, 2024

This study investigates the adsorption characteristics of pristine MoTe2 monolayer and metal atom (Co, V, W, Zr)-modified on hazardous gases CO, CH3CHO, C6H6 based density functional theory. The mechanism was studied from perspectives molecular differences, band structures, orbitals, states. Research analysis showed that changes in conductivity caused by different substrate were significantly different, which can be used to prepare gas sensing materials with selective sensitivity for C6H6. lays a reliable theoretical foundation toxic using atom-modified materials.

Язык: Английский

Процитировано

1

Adsorption of cyclic and non-cyclic thiol molecules on the pristine and Au-decorated MoTe2 nanosheets: a theoretical DFT study DOI
Farag M. A. Altalbawy, Subbulakshmi Ganesan,

Mamata Chahar

и другие.

Adsorption, Год журнала: 2024, Номер 31(1)

Опубликована: Ноя. 30, 2024

Язык: Английский

Процитировано

1