A bicomponent synergistic MoxW1−xS2/aluminum nitride vdW heterojunction for enhanced photocatalytic hydrogen evolution: a first principles study DOI
Liang Xu, Can Li, Sizheng Xiong

et al.

Physical Chemistry Chemical Physics, Journal Year: 2023, Volume and Issue: 26(4), P. 2973 - 2985

Published: Dec. 27, 2023

The coupling of two-dimensional van der Waals heterojunctions is an effective way to achieve photocatalytic hydrogen production. This paper designs the Mo

Language: Английский

Rational design of single transition-metal atoms anchored on a PtSe2 monolayer as bifunctional OER/ORR electrocatalysts: a defect chemistry and machine learning study DOI

S.L. Yue,

Dongying Li,

Aodi Zhang

et al.

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(9), P. 5451 - 5463

Published: Jan. 1, 2024

Design of low overpotential bifunctional OER/ORR electrocatalysts by adjusting the charge states TM@PtSe 2 is a new effective method.

Language: Английский

Citations

17
Advances in the visualization and thermal management of electrochromic materials DOI
Lei Zhang,

Ye Liu,

Guoqiang Wang

et al.

Journal of Materials Chemistry C, Journal Year: 2024, Volume and Issue: 12(39), P. 15833 - 15854

Published: Jan. 1, 2024

Herein, we consider the influence of organic groups on material properties, take tungsten oxide as an example to introduce mechanism change process in detail, and verify theoretical development with example.

Language: Английский

Citations

5
ML‐Based Prediction of Dual‐Channel Core Gate Junctionless FET Device Parameters Using XGBoost DOI
Rashmi Kushwaha, Abhishek Raj, Shashi Kant Sharma

et al.

International Journal of Numerical Modelling Electronic Networks Devices and Fields, Journal Year: 2025, Volume and Issue: 38(3)

Published: April 28, 2025

ABSTRACT This study investigates the application of machine learning technique especially ensemble category algorithm, that is, ‘Extreme Gradient Boosting (XGBoost)’ for making predictions various characteristics Dual Channel Core Gate Junctionless Field Effect Transistors (DCCG‐JLFET). Using data generated from Technology Computer Aided Design (TCAD) simulations, model is trained to predict behavior based on physical parameters. The objective reveal relationships and establish among parameters including drain current ( I DS ) short channel effects like subthreshold slope SS ), threshold voltage V th ON OFF ). Comparative analysis reveals ML achieves an accuracy 98.7% curve prediction. Also, scatter plots MSE 5.96 × 10 −9 , 6.98 −8 3.24 4.85 9.84 RMSE 7.72 −5 2.64 −4 5.69 6.96 3.14 R 2 ‐score 0.91 0.99 0.96 0.97 when compared TCAD Simulations. approach can be effectively applied in optimizing designing semiconductor devices.

Language: Английский

Citations

0
High-Throughput Computational Study and Machine Learning Prediction of Electronic Properties in Transition Metal Dichalcogenide/Two-Dimensional Layered Halide Perovskite Heterostructures DOI

Congsheng Xu,

Xiaomei Deng,

Peiyuan Yu

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 3, 2024

Heterostructures formed by transition metal dichalcogenides (TMDs) and two-dimensional layered halide perovskites (2D-LHPs) have attracted significant attention due to their unique optoelectronic properties. However, theoretical studies face challenges the large number of atoms need for lattice matching. With discovery more 2D-LHPs, there is an urgent methods rapidly predict screen TMDs/2D-LHPs heterostructures. This study employs first-principles calculations perform high-throughput computations on 602 Results show that different combinations exhibit diverse band alignments, with MoS

Language: Английский

Citations

2
A bicomponent synergistic MoxW1−xS2/aluminum nitride vdW heterojunction for enhanced photocatalytic hydrogen evolution: a first principles study DOI
Liang Xu, Can Li, Sizheng Xiong

et al.

Physical Chemistry Chemical Physics, Journal Year: 2023, Volume and Issue: 26(4), P. 2973 - 2985

Published: Dec. 27, 2023

The coupling of two-dimensional van der Waals heterojunctions is an effective way to achieve photocatalytic hydrogen production. This paper designs the Mo

Language: Английский

Citations

3