- [Nature Reviews Chemistry] Assoc. Prof. Pavlo O. Dral published a paper entitled "Molecular excited states through a machine learning lens" 2021-05-25
- [JPCL] Prof. Jun Cheng published a paper entitled "Origin of Asymmetric Electric Double Layers at Electrified Oxide/Electrolyte Interfaces" 2021-05-25
- [ACS Energy Letters] Prof. Mingsheng Wang published a paper entitled "Lithium Storage in Bowl-like Carbon: The Effect of Surface Curvature and Space Geometry... 2021-05-25
- [Applied Catalysis B: Environmental] Prof. Shigang Sun published a paper entitled "Stepwise pyrolysis treatment as an efficient strategy to enhance the stabi... 2021-05-25
- [Advanced Functional Materials] Prof. Honggang Liao published a paper entitled "Engineering of Amorphous PtOx Interface on Pt/WO3 Nanosheets for Ethanol Oxid... 2021-04-29
- [ACIE] Prof. Chunxiang Zhuo published a paper entitled "Molybdenum‐Catalyzed Deoxygenative Cyclopropanation of 1,2‐Dicarbonyl or Mono‐carbonyl Compounds" 2021-04-29
- [JPCL] Profs. Hongliang Zhang and Ye Yang published a paper entitled "Recombination of Polaronic Electron–Hole Pairs in Hematite Determined by Nuclear Quant... 2021-04-29
- [ACS Catalysis] Prof. Jianfeng Li published a paper entitled "Boosting Photocatalytic Hydrogen Evolution Reaction Using Dual Plasmonic Antennas" 2021-04-29
- [JACS] Prof. Cheng Wang published a paper entitled "Machine-Learning-Guided Discovery and Optimization of Additives in Preparing Cu Catalysts for CO2 Reducti... 2021-04-29
- [JACS] Prof. Lasheng Long published a paper entitled "Room-Temperature Magnetoelectric Coupling in Electronic Ferroelectric Film based on [(n-C3H7)4N][FeIIIF... 2021-04-29
Title: Molecular excited states through a machine learning lensAuthors: Pavlo O. Dral* & Mario Barbatti*Abstract: Theoretical simulations of electronic excitations and associated processes in molecules are indispensable for fundamental research and technological innovations. However, such simulations are notoriously challenging to perform with quantum mechanical methods. Advances in machine lea...
Title: Origin of Asymmetric Electric Double Layers at Electrified Oxide/Electrolyte InterfacesAuthors: Mei Jia, Chao Zhang*, and Jun Cheng*Abstract: The structure of electric double layers (EDLs) dictates the chemistry and the physics of electrified interfaces, and the differential capacitance is the key property for characterizing EDLs. Here we develop a theoretical model for computing the dif...
Title: Lithium Storage in Bowl-like Carbon: The Effect of Surface Curvature and Space Geometry on Li Metal DepositionAuthors: Weibin Ye, Lina Wang, Yichen Yin, Xinhang Fan, Yong Cheng, Haowen Gao, Hehe Zhang, Qiaobao Zhang, Guangfu Luo, and Ming-Sheng Wang*Abstract: Dendrite growth severely hinders the practical use of lithium metal as an ideal battery anode. To realize controlled Li plating, t...
Title: Stepwise pyrolysis treatment as an efficient strategy to enhance the stability performance of Fe-NX/C electrocatalyst towards oxygen reduction reaction and proton exchange membrane fuel cellAuthors: Ximing Qu, Yu Han, Youhu Chen, Jinxia Lin, Guang Li, Jian Yang*, Yanxia Jiang*, Shigang Sun*Abstract: Metal-nitrogen/carbon (M-NX/C) materials have been hailed as promising electrocatalysts t...
Title: Engineering of Amorphous PtOx Interface on Pt/WO3 Nanosheets for Ethanol Oxidation ElectrocatalysisAuthors: Liangping Xiao, Guang Li, Zhou Yang, Kai Chen, Rusen Zhou, Honggang Liao*, Qingchi Xu*, Jun Xu*Abstract: Direct and complete electro‐oxidation of ethanol to CO2 is highly desirable for the commercialization of the direct ethanol fuel cells but is challenging. Current electrocataly...
Title: Molybdenum‐Catalyzed Deoxygenative Cyclopropanation of 1,2‐Dicarbonyl or Mono‐carbonyl CompoundsAuthors: Li-Ya Cao, Jian-Nan Luo, Jia-Sheng Yao, De-Ku Wang, Yuan-Qing Dong, Chao Zheng, Chun-Xiang Zhuo*Abstract: The transition‐metal catalyzed cyclopropanation of alkenes via the decomposition of diazo compounds is a powerful and straightforward strategy to produce cyclopropanes. Howeve...
Title: Recombination of Polaronic Electron–Hole Pairs in Hematite Determined by Nuclear Quantum TunnelingAuthors: Yunyan Fan, Yumei Lin, Kelvin H. L. Zhang*, and Ye Yang*Abstract: Here, we investigate the intrinsic nonradiative recombination mechanism in hematite single crystals that decides the photocarrier lifetime under solar illumination. On the basis of the small polaron theory, we propos...
Title: Boosting Photocatalytic Hydrogen Evolution Reaction Using Dual Plasmonic AntennasAuthors: Jing-Liang Yang, Yong-Lin He, He Ren, Han-Liang Zhong, Jia-Sheng Lin, Wei-Min Yang, Ming-De Li, Zhi-Lin Yang, Hua Zhang*, Zhong-Qun Tian, and Jian-Feng Li*Abstract: Plasmon-mediated photocatalytic water splitting has attracted extensive attention due to its bright future in using visible light, but ...
Title: Machine-Learning-Guided Discovery and Optimization of Additives in Preparing Cu Catalysts for CO2 ReductionAuthors: Ying Guo, Xinru He, Yuming Su, Yiheng Dai, Mingcan Xie, Shuangli Yang, Jiawei Chen, Kun Wang, Da Zhou*, and Cheng Wang*Abstract: Discovery and optimization of new catalysts can be potentially accelerated by efficient data analysis using machine-learning (ML). In this paper,...
Title: Room-Temperature Magnetoelectric Coupling in Electronic Ferroelectric Film based on [(n-C3H7)4N][FeIIIFeII(dto)3] (dto = C2O2S2)Authors: Xiaolin Liu, Bin Wang, Xiaofeng Huang, Xinwei Dong*, Yanping Ren, Haixia Zhao*, Lasheng Long*, and Lansun ZhengAbstract: Great importance has been attached to magnetoelectric coupling in multiferroic thin films owing to their extremely practical use in ...