433 citations · 715 across the 10 of their papers we have counts for
10 papers
Batch Discovery of New Metal Superhydrides via Chemical Template Theory and Machine Learning
Yuanhui Sun, Maosheng Miao
Metal superhydrides, known for their high hydrogen content and polyhedral hydrogen cages, are promising candidates for high-temperature superconductivity. Recent research has empha…
Abnormal behavior of Cs polyoxides under high pressure
Yuanhui Sun, Dalar Khodagholian, Peter Müller +4
High-pressure can transform the structures and compositions of materials either by changing the relative strengths of bonds or by altering the oxidation states of atoms. Both effec…
Chemical templates that assemble the metal superhydrides
Yuanhui Sun, Maosheng Miao
The recent discoveries of many metal superhydrides provide a new route to room-temperature superconductors. However, their stability and structure trends and the large chemical dri…
JAMIP: an artificial-intelligence aided data-driven infrastructure for computational materials informatics
Xin-Gang Zhao, Kun zhou, Bangyu Xing +13
Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design. It exploits the intelligent power of machine learning methods in ma…
New Polymorphs of Two-Dimensional Indium Selenide with Enhanced Electronic Properties
Yuanhui Sun, Yawen Li, Tianshu Li +3
The two-dimensional (2D) semiconductor indium selenide (InSe) has attracted significant interest due its unique electronic band structure, high electron mobility and wide tunabilit…
Switchable out-of-plane polarization in two-dimensional LiAlTe
Zhun Liu, Yuanhui Sun, David J. Singh +1
Covalent-polar semiconductors that show intrinsic two-dimensional (2D) vertical polarization present new device opportunities. These materials differ from ordinary ferroelectrics i…
Experimental identification of critical condition for drastically enhancing thermoelectric power factor of two-dimensional layered materials
Junwen Zeng, Xin He, Shi-Jun Liang +16
Nano-structuring is an extremely promising path to high performance thermoelectrics. Favorable improvements in thermal conductivity are attainable in many material systems, and the…
Interlayer Coupling in Two-Dimensional Semiconductor Materials
Zhiming Shi, Xinjiang Wang, Yuanhui Sun +2
Two-dimensional (2D) graphene-like layered semiconductors provide a new platform for materials research because of their unique mechanical, electronic and optical attributes. Their…
InSe: a two-dimensional material with strong interlayer coupling
Yuanhui Sun, Shulin Luo, Xin-Gang Zhao +3
Atomically thin, two-dimensional (2D) indium selenide (InSe) has attracted considerable attention due to large tunability in the band gap (from 1.4 to 2.6 eV) and high carrier mobi…
Cu-In Halide Perovskite solar absorbers
Xin-Gang Zhao, Dongwen Yang, Yuanhui Sun +4
The long-term chemical instability and the presence of toxic Pb in otherwise stellar solar absorber APbX have hindered their large-scale commercialization. Previously explore…