Van der Waals gap engineering in 2D materials for energy storage and conversion

Q Chen, Y Wei, PB Zhai, YJ Gong - Rare Metals, 2024 - Springer
Since the discovery of two-dimensional (2D) materials, they have garnered significant
attention from researchers owing to the exceptional and modifiable physical and chemical …

Prediction methods for phonon transport properties of inorganic crystals: from traditional approaches to artificial intelligence

Y Wei, Z Liu, G Qin - Nanoscale Horizons, 2025 - pubs.rsc.org
In inorganic crystals, phonons are the elementary excitations describing the collective
atomic motions. The study of phonons plays an important role in terms of understanding …

Dynamic mesophase transition induces anomalous suppressed and anisotropic phonon thermal transport

L Yu, K Dong, Q Yang, Y Zhang, Z Fan… - NPJ Computational …, 2024 - nature.com
The physical/chemical properties undergo significant transformations in the different states
arising from phase transition. However, due to the lack of a dynamic perspective, transitional …

Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates

J Wu, E Zhou, A Huang, H Zhang, M Hu… - Nature …, 2024 - nature.com
High-efficient heat dissipation plays critical role for high-power-density electronics.
Experimental synthesis of ultrahigh thermal conductivity boron arsenide (BAs, 1300 W m …

The enormous and distinctive role of four-phonon scattering in the thermal transport characteristic of pentagonal structures

P Tian, Y Gao, Z Yang, X Zhang, Y Liu… - The Journal of Physical …, 2024 - ACS Publications
In this paper, the thermal transport characteristics of penta-CN2 and-BCN, which can be
seen as the analogues of penta-graphene, are systematically studied by first-principles …

Janus MXene nanosheets with a strain-induced reversible magnetic state transition for storing information without electricity

H Zhang, G Wang, BA Beshiwork, BS Teketel… - Chemical …, 2024 - pubs.rsc.org
The application of strain induces a transition in the ground-state magnetic configuration of
Janus TiVC MXene from A-AFM to FM. A new system and method of solid-state disk …

First-Principles Study on the Thermal Transport Properties of Monolayer 1T-Ag6X2 (X = S, Se, Te)

G He, Q Wei, S Gan, S Huang, X Chen… - The Journal of …, 2024 - ACS Publications
Cluster substitution is a novel strategy for optimizing the physical and chemical properties of
functional materials, but it is not fully understood in related fields, especially in the fields of …

Exploring modeling and testing approaches for three-dimensional integrated thermal resistance of chiplets

R Shang, Y Yao, A Bi, Y Wang, S Wang - Journal of Thermal Analysis and …, 2024 - Springer
The advent of three-dimensional stacked chips has significantly enhanced overall
performance but introduced challenges in thermal analysis. To ensure the reliable operation …

Oxygen modification enhanced bonding behaviors in Cu/graphene interface: First principles calculations

H Yuan, H Bao, Q Zhao, Z Guo, Y Li, F Ma - Surfaces and Interfaces, 2025 - Elsevier
Oxygen modification on the interface is crucial to improve the mechanical strength of
graphene/copper (Gr/Cu) composites. However, the existing form of interface oxygen and …

Revealing the correlation between asymmetric structure and low thermal conductivity in Janus-graphene via machine learning force constant potential

L Yu, K Dong, Q Yang, Y Zhang, X Zheng… - Applied Physics …, 2024 - pubs.aip.org
Understanding the fundamental link between structure and functionalization is crucial for
designing and optimizing functional materials, since different structural configurations could …