[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Defect engineering for fuel‐cell electrocatalysts

W Li, D Wang, Y Zhang, L Tao, T Wang… - Advanced …, 2020 - Wiley Online Library
The commercialization of fuel cells, such as proton exchange membrane fuel cells and direct
methanol/formic acid fuel cells, is hampered by their poor stability, high cost, fuel crossover …

Highly enhanced ferroelectricity in HfO2-based ferroelectric thin film by light ion bombardment

S Kang, WS Jang, AN Morozovska, O Kwon, Y **… - Science, 2022 - science.org
Continuous advancement in nonvolatile and morphotropic beyond-Moore electronic devices
requires integration of ferroelectric and semiconductor materials. The emergence of hafnium …

Insights into the dynamic evolution of defects in electrocatalysts

Y Zhang, H Liu, S Zhao, C **e, Z Huang… - Advanced …, 2023 - Wiley Online Library
This review focuses on the formation and preparation of defects, the dynamic evolution
process of defects, and the influence of defect dynamic evolution on catalytic reactions. The …

Metal surface and interface energy electrocatalysis: fundamentals, performance engineering, and opportunities

Y Yang, M Luo, W Zhang, Y Sun, X Chen, S Guo - Chem, 2018 - cell.com
Electrochemical processes for renewable energy conversion and generation represent
promising pathways for lowering our dependence on fossil fuels yet critically depend on the …

Ion irradiation/implantation induced defect engineering and modification in graphene derivatives-based nanocomposites: energy storage/conversion and sensor

S Kalia, R Kumar, R Dhiman, RK Singh - Journal of Energy Storage, 2024 - Elsevier
A few decades ago, the irradiation process was considered to be just a lethal technique that
damaged the structure of solid materials, but in the last few years, new discoveries have also …

Subatomic species transport through atomically thin membranes: Present and future applications

PR Kidambi, P Chaturvedi, NK Moehring - Science, 2021 - science.org
BACKGROUND Membranes are thin physical barriers that allow for transport of certain
species while limiting others. Atomically thin two-dimensional (2D) materials are crystalline …

A roadmap for electronic grade 2D materials

N Briggs, S Subramanian, Z Lin, X Li, X Zhang… - 2D …, 2019 - iopscience.iop.org
Since their modern debut in 2004, 2-dimensional (2D) materials continue to exhibit scientific
and industrial promise, providing a broad materials platform for scientific investigation, and …

Two-dimensional materials for future information technology: status and prospects

H Qiu, Z Yu, T Zhao, Q Zhang, M Xu, P Li, T Li… - Science China …, 2024 - Springer
Over the past 70 years, the semiconductor industry has undergone transformative changes,
largely driven by the miniaturization of devices and the integration of innovative structures …

Ion beam modification of two-dimensional materials: Characterization, properties, and applications

Z Li, F Chen - Applied Physics Reviews, 2017 - pubs.aip.org
The layered two-dimensional (2D) materials, eg, the well-known graphene, transition metal
dichalcogenides, and topological insulators, have attracted great interest of researchers …