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- Chinese Academy of SciencesCN17 papers
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- Xi'an Jiaotong UniversityCN16 papers
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- Australian National UniversityAU11 papers
- Moscow Institute of Physics and TechnologyRU11 papers
- University of Chinese Academy of SciencesCN10 papers
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5 papers · 2 filters
Accelerated Discovery of Crystalline Materials with Record Ultralow Lattice Thermal Conductivity via a Universal Descriptor
Xingchen Shen, Jiongzhi Zheng, Michael Marek Koza +9
Ultralow glass-like lattice thermal conductivity in crystalline materials is crucial for enhancing energy conversion efficiency in thermoelectrics and thermal insulators. We introd…
Lattice-Distortion-Mediated Proton Pairing and Trapping in Solid State Oxides
Hang Ma, Jiajun Linghu, Nannan Han +4
Experiments have evidenced proton pairing in Y-doped BaZrO3. However, the nature of proton pairing and its impact on conduction remain insufficiently understood theoretically. Here…
Control of magnetic transition, metal-semiconductor transition, and magnetic anisotropy in noncentrosymmetric monolayer CrGeSeTe
Rui-Qi Wang, Tengfei Cao, Tian-Min Lei +2
Recent advances in two-dimensional materials have greatly expanded the family of ferromagnetic materials. The well-known 2D ferromagnets, such as CrI, CrGeTe, and F…
In-depth Investigation of Conduction Mechanism on Defect-induced Proton-conducting Electrolytes BaHfO
Peng Feng, Hang Ma, Kuan Yang +5
This study utilizes first-principles computational methods to comprehensively analyze the impact of A-site doping on the proton conduction properties of BaHfO. The goal is to o…
ProME: An Integrated Computational Platform for Material Properties at Extremes and Its Application in Multicomponent Alloy Design
Xingyu Gao, William Yi Wang, Xin Chen +8
We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculat…