Dual activation of CO2 and N2 facilitated by single Ta4+ clusters

Yifan Gao, Ran Cheng, Klavs Hansen and Zhixun Luo

Chem. Sci., 2026, 17, 2364
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Gas-phase reactions driven by polarized metal–metal bonding in atomic clusters

Xiao-Na Li and Sheng-Gui He

Phys. Chem. Chem. Phys., 2023, 25, 4444
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A comparative study on the reactivity of ditantalum deuteride cluster anions Ta2D2− and Ta2D4− toward N2

Xin Cheng, Zi-Yu Li, Li-Hui Mou, Qing-Yu Liu and Sheng-Gui He

Phys. Chem. Chem. Phys., 2022, 24, 24950
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Theoretical evidence for facile N₂ cleavage by the diatomic transition metal carbide: HfC+

Xiangtao Kong, Meihan Wang, Qi Wang, Haijuan Yang, Liu Yang, Jiahui Wang, Pu Cai, Jiayi Li, Chaowei Li, Zhi Zhao and Bingbing Zhang

Computational and Theoretical Chemistry, 2025, 1254, 115546
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Toward Designing Reactive Metal Clusters for Dinitrogen Activation: A Guideline Based on N2 Initial Adsorption

Yao Li, Li-Hui Mou, Gui-Duo Jiang, Zi-Yu Li, Sheng-Gui He and Hui Chen

Inorg. Chem., 2024, 63, 10775
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Mesoporous Surface-Sulfurized Fe–Co3O4 Nanosheets Integrated with N/S Co-Doped Graphene as a Robust Bifunctional Electrocatalyst for Oxygen Evolution and Reduction Reactions

Lingxue Meng, Yige Wang, Wenwei Liu, Chunlei Fan, Haoxiong Nan, Jiang Wang and Jia Yu

Molecules, 2023, 28, 2221
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Spectroscopic Characterization of Thermal Methane Activation by Lewis‐Acid‐Base Pair in a Gas‐Phase Metal Nitride Anion Ta2N3−

Zi‐Yu Li, Qing‐Yu Liu and Sheng‐Gui He

ChemPhysChem, 2024, 25
DOI: 10.1002/cphc.202400116

Hydroamination of alkenes with dinitrogen and titanium polyhydrides

Takanori Shima, Qingde Zhuo, Xiaoxi Zhou, Ping Wu, Ryota Owada, Gen Luo and Zhaomin Hou

Nature, 2024, 632, 307
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Multiscale Design of Array‐Type Integrated Electrodes for Gas‐Involving Electrocatalytic Reactions

Haoxiong Nan, Rui Gao, Ruixi Xie, Lingxue Meng, Jiang Wang and Jia Yu

Small, 2025, 21
DOI: 10.1002/smll.202502174

Cryo IR spectroscopy and cryo kinetics of dinitrogen activation and cleavage by small tantalum cluster cations

Daniela V. Fries, Matthias P. Klein, Annika Straßner, Maximilian E. Huber, Maximilian Luczak, Christopher Wiehn and Gereon Niedner-Schatteburg

The Journal of Chemical Physics, 2023, 159
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Mesoporous electrocatalysts for oxygen reduction reaction: From mechanisms, characterizations to designs

Haoxiong Nan, Bingxu Chen, Li-Hui Mou, Yuanqing Wang and Jia Yu

Coordination Chemistry Reviews, 2025, 542, 216834
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Dinitrogen Activation by Heteronuclear Metal Carbide Cluster Anions Y1‐3CoC1,2−: An Experimental and DFT Study

Meng‐Meng Wang, Ming Wang, Zhi‐Wen Ji, Xiao‐Meng Huang, Han‐Bin He, Xun‐Lei Ding and Jia‐Bi Ma

ChemCatChem, 2024, 16
DOI: 10.1002/cctc.202300978

Dinitrogen Activation and Cyanide Release by the Gas-Phase Cluster Anions InNbC2–: Synergistic Effects of the p-Block Indium and the d-Block Niobium

Xiao-Wang Li, Feng-Xiang Zhang, Xi-Guan Zhao, Qing-Yu Liu, Sheng-Gui He and Jia-Bi Ma

J. Am. Chem. Soc., 2025, 147, 22185
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Unveiling Universal Reactivity Descriptors of Metal Clusters toward Dinitrogen Activation: A Machine Learning Protocol with Three-Level Feature Extraction

Li-Hui Mou, Gui-Duo Jiang, Chao Wang, Xin Cheng, Jia Yu, Zi-Yu Li and Jun Jiang

ACS Catal., 2025, 15, 6618
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Deciphering Experimental Reactivity of Metal Clusters Toward N2 Activation Using Graph Neural Networks

Yinhe Wang, Chao Wang, Li-Hui Mou and Jun Jiang

JACS Au, 2025, 5, 3669
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Consecutive Reduction of Five Carbon Dioxide Molecules by Gas-Phase Niobium Carbide Cluster Anions Nb3C4–: Unusual Mechanism for Enhanced Reactivity by the Carbon Ligands

Yi-Heng Zhang and Jia-Bi Ma

J. Phys. Chem. A, 2024, 128, 2323
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Insights into the enhanced mechanism of N2 dissociation and ammonia synthesis by MoS clusters supported on single-vacancy graphene

Baoyu Huang, Wenhong Tang, Xiaomei Zhao and Yong Pei

Materials Today Communications, 2025, 49, 113882
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Cryo-IR spectroscopy and cryo-kinetics of cluster N2 adsorbate complexes of tantalum cluster cations Ta5-8+

Daniela V. Fries, Matthias P. Klein, Annika Straßner, Maximilian E. Huber and Gereon Niedner-Schatteburg

The Journal of Chemical Physics, 2023, 159
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Octahedral Coordinated Cluster TaN12+: Mass Spectrometry Detection, Photodissociation Observation, and Theoretical Exploration

Jia‐Ming Zhang, Hao Zheng, Peng Wang, Huai‐Qian Wang, Hui‐Fang Li, Hong‐Guang Xu and Wei‐Jun Zheng

ChemPhysChem, 2026, 27
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Coordination-induced bond weakening in NiC3: An experimental and theoretical investigation

Zhiling Liu, Yonghong Yan, Yufeng Yang, Fuqiang Zhang, Jianfeng Jia and Ya Li

The Journal of Chemical Physics, 2023, 159
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Lamellar-stacked cobalt-based nanopiles integrated with nitrogen/sulfur co-doped graphene as a bifunctional electrocatalyst for ultralong-term zinc-air batteries

Lingxue Meng, Wenwei Liu, Yang Lu, Zhenyi Liang, Ting He, Jinying Li, Haoxiong Nan, Shengxu Luo and Jia Yu

Journal of Energy Chemistry, 2023, 81, 633
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Heteronuclear Trimetallic MFe2 and M2Fe (M=V, Nb, and Ta) Clusters for Dinitrogen Activation

Ya Ya Wang, Xun‐Lei Ding, Zhi‐Wen Ji, Xiao‐Meng Huang and Wei Li

ChemPhysChem, 2023, 24
DOI: 10.1002/cphc.202200952

Superior Reactivity of Molybdenum–Sulfur Cluster Anions Mo5S2– and Mo5S3– toward Dinitrogen

Gui-Duo Jiang, Qi Yang, Gong-Ping Wei, Zi-Yu Li and Sheng-Gui He

Inorg. Chem., 2023, 62, 11318
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Dinitrogen Activation in the Gas Phase: Spectroscopic Characterization of C−N Coupling in the V3C++N2 Reaction

Zi‐Yu Li, Francine Horn, Yao Li, Li‐Hui Mou, Wieland Schöllkopf, Hui Chen, Sheng‐Gui He and Knut R. Asmis

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202203384

Activation of Dinitrogen Promoted by Adsorption of C6H6 on Fe2VC– Cluster Anions

Xin Cheng, Zi-Yu Li, Gui-Duo Jiang, Xiao-Xiao Liu, Qing-Yu Liu and Sheng-Gui He

J. Phys. Chem. Lett., 2023, 14, 6431
DOI: 10.1021/acs.jpclett.3c01367