MoSe2 and WSSe heterojunction with exceptional power conversion efficiency and photogalvanic effect
Z Cui, H Wang, Y Shen, K Qin, P Yuan, E Li - Materials Today Physics, 2024 - Elsevier
In this paper, the structure, electronic and optical properties of WSSe/MoSe 2 and MoSe
2/WSSe heterojunctions are studied by using density functional theory (DFT) and first …
2/WSSe heterojunctions are studied by using density functional theory (DFT) and first …
Highly Sensitive and Selective Defect WS2 Chemical Sensor for Detecting HCHO Toxic Gases
Z Cui, H Wang, K Yang, Y Shen, K Qin, P Yuan, E Li - Sensors, 2024 - mdpi.com
The gas sensitivity of the W defect in WS2 (VW/WS2) to five toxic gases—HCHO, CH4,
CH3HO, CH3OH, and CH3CH3—has been examined in this article. These five gases were …
CH3HO, CH3OH, and CH3CH3—has been examined in this article. These five gases were …
g-ZnO/Si 9 C 15: a S-scheme heterojunction with high carrier mobility for photo-electro catalysis of water splitting
Y Shen, Z Yuan, Z Cui, D Ma, P Yuan… - Physical Chemistry …, 2024 - pubs.rsc.org
The g-ZnO/Si9C15 heterojunction is designed, and its stability, electronic properties and
photo-electro catalytic properties, and the impact of biaxial strain on the electronic and …
photo-electro catalytic properties, and the impact of biaxial strain on the electronic and …
Electronic behavior of organic molecules adsorbed on monolayer SiC
M Guo, Z Cui, T Zhao - Materials Today Communications, 2024 - Elsevier
Studying the adsorption of organic molecules is a good approach for exploring the electronic
conducts of two-dimensional (2D) materials. We utilized density functional theory (DFT) to …
conducts of two-dimensional (2D) materials. We utilized density functional theory (DFT) to …
The excellent electrocatalytic HER activity and photogalvanic effect of WS2/Ga2O3 based on Density Functional Theory
Z Cui, H Wang, Y Shen, K Qin, P Yuan, E Li - International Journal of …, 2024 - Elsevier
This study is based on density functional theory, studied structure and electronic properties,
optical properties, electrocatalytic water splitting to produce H 2, and electrical properties of …
optical properties, electrocatalytic water splitting to produce H 2, and electrical properties of …
The g-ZnO/PtSe2 S-scheme heterojunction with controllable band structure for catalytic hydrogen production
Y Shen, Z Yuan, Z Cui, D Ma, P Yuan, F Cheng… - International Journal of …, 2024 - Elsevier
The structural, photo-electronic catalytic properties, and the biaxial strain modulation of band
structure for the g-ZnO/PtSe 2 S-scheme heterojunction are studied by First-principles …
structure for the g-ZnO/PtSe 2 S-scheme heterojunction are studied by First-principles …
Metal atoms adsorbed Ga2O3 monolayer: As a potential application in optoelectronic devices
Z Cui, H Wu - Micro and Nanostructures, 2023 - Elsevier
Density functional theory based on first principles has been used to analyze the electronic,
magnetic, work function, and optical absorption characteristics of metal atoms adsorbed Ga …
magnetic, work function, and optical absorption characteristics of metal atoms adsorbed Ga …
Computation insights of MoS2-CrXY (X≠ YS, Se, Te) van der waals heterostructure for Spintronic and photocatalytic water Splitting applications
Abstract van der Waals heterostructure (vdWH) is an attractive technique to enhance the
behavior of two-dimensional materials for designing viable products for electronic …
behavior of two-dimensional materials for designing viable products for electronic …
Direct Z-scheme MoSTe/g-GeC heterostructure for photocatalytic water splitting: A first-principles study
D Ma, H Li, J Wang, J Hu, X Yang, Y Fu, Z Cui… - International Journal of …, 2024 - Elsevier
In this paper, based on the first-principle calculations of hybrid density functional theory, the
MoSTe/g-GeC of the Z-scheme heterostructure is constructed. The stability, electronic …
MoSTe/g-GeC of the Z-scheme heterostructure is constructed. The stability, electronic …
Unveiling the influence of furan and thiophene on the corrosion inhibition capabilities of novel hydrazones derivatives in carbon steel/HCl interface: A dual …
M Naciri, S Skal, Y El Aoufir, MR Al-hadeethi… - Colloids and Surfaces A …, 2024 - Elsevier
The use of corrosion inhibitors is a critical measure in the preservation of metals. In this
research, the performance of two hydrazone derivatives, N′-[(E)-furan-2-ylmethylidene]− 2 …
research, the performance of two hydrazone derivatives, N′-[(E)-furan-2-ylmethylidene]− 2 …