1.9k citations · 2.8k across the 17 of their papers we have counts for
17 papers
Differentiable OPLS Force Field Parameterization for Ionic Electrolytes and High-Throughput Application to Lithium-ion Batteries
Haichao Huang, Zilin Chen, Qi Liu +14
The rational design of ionic electrolytes for lithium-ion batteries (LIBs) is severely constrained by the vast solvent-salt combinatorial space and low efficiency of empirical tria…
Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction Reaction
Chen Liang, Bowen Wang, Shaogang Hao +3
Graph neural networks (GNNs) have drawn more and more attention from material scientists and demonstrated a high capacity to establish connections between the structure and propert…
Highly Efficient and Selective Extraction of Gold by Reduced Graphene Oxide
Fei Li, Jiuyi Zhu, Pengzhan Sun +8
Materials that are capable of extracting gold from complex sources, especially electronic waste (e-waste) with high efficiency are needed for gold resource sustainability and effec…
Layer-controlled Ferromagnetism in Atomically Thin CrSiTe Flakes
Cheng Zhang, Le Wang, Yue Gu +9
The research on two-dimensional (2D) van der Waals (vdW) ferromagnets has promoted the development of ultrahigh-density and nanoscale data storage. However, intrinsic ferromagnetis…
Understanding the flat band in 1T-TaS2 using a rotated basis
Li Cheng, Xuanyu Long, Xiaobin Chen +2
Electronic flat bands serve as a unique platform to achieve strongly-correlated phases. The emergence of a flat band around the Fermi level in 1T-TaS in accompany with the deve…
Glue-Assisted Grinding Exfoliation of Large-Size 2D Materials for Insulating Thermal Conduction and Large-Current-Density Hydrogen Evolution
Liusi Yang, Dashuai Wang, Minsu Liu +11
Two-dimensional (2D) materials have many promising applications, but their scalable production remains challenging. Herein, we develop a glue-assisted grinding exfoliation (GAGE) m…