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Review Article | Open Access
Insights into DFT-guided synthesis of atomic clusters for electrocatalysis
Hongyu Jing, Peng Zhu, Han Wu, [...], Chang Cui, Nanyu Shao, Xinyi Zhang, Yu Chen, Zihan Zhao, Jiaxin Zhou, Zhen Zhao << Fewer
Published: 08 June 2026
2026, 19(7): 94908519
Research Article | Open Access
High driving current and enhanced gate control in 1-nm gate length type-Ⅱ ZnO/GaN vdWH field-effect transistor via a constituent-layer-selective doping strategy
Yi Xiang, Le-Jun Wang, Qin Xiang, [...], Hong-Lin Ma, Chun-Ming Yang, Zhi-Qiang Fan, Lei Hu << Fewer
Available online: 11 May 2026
Review Article | Open Access
Emerging plant wearable sensors: Materials, manufacturing, multiscale modeling, and applications
Lulu Xu, Yufeng Wang, Bohai Zhang, [...], Rongzhen Zhao, Shakeela Bibi, Hao Zhang, Xiaohan Zhang, Juanhua Zhu, Jieqiong Qin, Bin Tang, Jiandong Hu, Zhen Zhou, Junfeng Wu << Fewer
Published: 30 April 2026
2026, 19(6): 94908482
Research Article | Open Access
HULU: A unified Monte Carlo framework for adsorption simulations with machine learning potentials
Xitai Cai, Yuxun Wu, Libo Li, [...], Lijun Liao, Penghua Ying, Yanying Wei << Fewer
Published: 30 March 2026
2026, 19(4): 94908548
Research Article | Open Access
First-principles insight into helical distortion in chiral WSe2 for promoting C–C coupling in CO2 reduction
Tianwei Ouyang, Hang Su, Shunai Che, Yuxi Fang
Published: 11 March 2026
2026, 19(3): 94908369
Research Article | Open Access
Regulation of micro-environments by multi-metal promoters: A theoretical study on CO2 activation over iron carbide catalysts
Xingxing Li, Nan Song, Wenyao Chen, [...], Junbo Cao, Jing Zhang, Xinggui Zhou, De Chen, Xuezhi Duan << Fewer
Published: 26 August 2025
2025, 18(9): 94907633
Review Article | Open Access
XAFS-based identification of the microscopic chemical environment in single-atom catalysts: Progress, challenges and prospects
Yinjuan Chen, Xiaohui Zhu, Qinglong Zhou, [...], Chen Zhu, Haoran Xing, Hai Xiao, Hongying Zhuo, Yafei Li << Fewer
Published: 06 June 2025
2025, 18(6): 94907509
Research Article | Open Access
Machine learning driven high-throughput screening of S and N-coordinated SACs for eNRR
Lintao Xu, Yuhong Huang, Haiping Lin, [...], Xiumei Wei, Fei Ma << Fewer
Published: 20 March 2025
2025, 18(4): 94907289
Research Article | Open Access
Disentangling the role of wave function overlap, exciton–exciton interaction, carrier confinement and shape in the properties of spherical quantum wells
Marco Califano
Published: 15 January 2025
2025, 18(2): 94907162
Research Article | Open Access
Performance evaluation of homogeneous dual-atom site M2-N6-graphene catalysts for hydrogen evolution reaction
Jing Meng, Letong Feng, Zhaoyang Zhang, [...], Liang Zhang, Xiangwen Liu, Zhenwei Zhang, Wenming Sun << Fewer
Published: 25 December 2024
2025, 18(1): 94907004
Total 18