Title: Unveiling Atom Migration Abilities Affected Anode Performance of Sodium-Ion BatteriesAuthors: Qizheng Zheng, Shiyuan Zhou, Shi Tang, Hongbin Zeng, Yonglin Tang, Zhengang Li, Sangui Liu, Liangping Xiao, Ling Huang, Yu Qiao, Shi-Gang Sun, Honggang Liao*Abstract: In sodium-ion batteries (SIBs), the low initial coulombic efficiency (ICE) is commonly induced by irreversible phase conversion a...

Title: Mechanistic Insights into Radical-Induced Selective Oxidation of Methane over Nonmetallic Boron Nitride CatalystsAuthors: Peijie Han, Ran Yan, Yuqing Wei, Leisu Li, Jinsong Luo, Yang Pan, Binju Wang, Jingdong Lin, Shaolong Wan, Haifeng Xiong, Yong Wang*, and Shuai Wang*Abstract: Boron-based nonmetallic materials (such as B2O3 and BN) emerge as promising catalysts for selective oxidation ...

Title: Photo-Driven Iron-Induced Non-Oxidative Coupling of Methane to EthaneAuthors: Huizhen Zhang, Wanfu Zhong, Qiaobin Gong, Pengfei Sun, Xuejiao Wu, Xiaozhen Fei, Sha Xu, Qinghong Zhang, Gang Fu, Shunji Xie*, Ye WangAbstract: Photo-driven CH4 conversion to multi-carbon products and H2 is attractive but challenging, and the development of efficient catalytic systems is critical. Herein, we co...

Title: Hydrogen Bond Network Induced by Surface Ligands Shifts the Semi-hydrogenation Selectivity over Palladium CatalystsAuthors: Weijie Zhang, Ruixuan Qin*, Gang Fu, and Nanfeng Zheng*Abstract: Tuning the metal–ligand interfaces of heterogeneous catalysts has emerged as an effective strategy to optimize their catalytic performance. However, improving the selectivity via organic modification ...

Title: Copper lattice tension boosts full-cell CO electrolysis to multi-carbon olefins and oxygenatesAuthors: Wenchao Ma, Shunji Xie, Biao Zhang, Xiaoyang He, Xi Liu, Bingbao Mei, Fanfei Sun, Zheng Jiang, Li Lin, Qinghong Zhang, Bin Ren, Gang Fu, Xile Hu, Ye Wang*Abstract: Electrocatalytic upgrading of CO to value-added multi-carbon (C2+) compounds is a promising approach to efficient carbon ut...

Title: Weakened d–p orbital hybridization in in situ reconstructed Ru/β-Co(OH)2 heterointerfaces for accelerated ammonia electrosynthesis from nitratesAuthors: Weijie Zhu, Fen Yao, Qiongfei Wu, Qiu Jiang, Jinxian Wang, Zhoucheng Wang and Hanfeng Liang*Abstract: The electrocatalytic nitrate reduction reaction (NtrRR) has recently become an emerging technology that can convert nitrate pollutant...

Title: O–O Bond Formation and Oxygen Release in Photosystem II Are Enhanced by Spin-Exchange and Synergetic Coordination InteractionsAuthors: Xitong Song and Binju Wang*Abstract: The photosystem II (PSII)-catalyzed water oxidation is crucial for maintaining life on earth. Despite the extensive experimental and computational research that has been conducted over the past two decades, the mechan...

Title: Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy SurfacesAuthors: Yi-Fan Hou, Fuchun Ge, and Pavlo O. Dral*Abstract: The KREG and pKREG models were proven to enable accurate learning of multidimensional single-molecule surfaces of quantum chemical properties such as ground-state potential energies, exc...

Authors: Baodan Zhang, Yiming Zhang, Xiaotong Wang, Hui Liu, Yawen Yan, Shiyuan Zhou, Yonglin Tang, Guifan Zeng, Xiaohong Wu, Hong-Gang Liao, Yongfu Qiu, Huan Huang, Lirong Zheng, Juping Xu, Wen Yin, Zhongyuan Huang, Yinguo Xiao, Qingshui Xie, Dong-Liang Peng, Chao Li*, Yu Qiao*, and Shi-Gang SunAbstract: Element doping/substitution has been recognized as an effective strategy to enhance the st...

Title: Atomic-thick metastable phase RhMo nanosheets for hydrogen oxidation catalysisAuthors: Juntao Zhang, Xiaozhi Liu, Yujin Ji, Xuerui Liu, Dong Su*, Zhongbin Zhuang, Yu-Chung Chang, Chih-Wen Pao, Qi Shao*, Zhiwei Hu & Xiaoqing Huang*Abstract: Metastable phase two-dimensional catalysts provide great flexibility for modifying their chemical, physical, and electronic properties. However, the s...