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The Prospect of Single-Atom Catalysis Empowered by Designer Dynamics and Machine Intelligence Jinxing Chen, Jiali Li, Xiao Hai, Jun Li*, Tao Zhang*, & Jiong Lu* J. Am. Chem. Soc. 10.1021/jacs.5c13920, 2025
Near-100% spontaneous rolling up of polar van der Waals materials Zhi Zhang, Yuwei Zhang, Kangjun Lu, Jun-Jie Zhang, Nannan Zhang, Rui Feng, Haoran Ye, Xiaoli Zhou, Linglong Li, Dongyang Wan*, Junpeng Lu, Zhenhua Ni, Jinlan Wang, Qian Chen*, Jiong Lu* & Zejun Li* Nature Materials 10.1038/s41563-025-02357-w, 2025
Atomically Precise Coinage Metal Cluster: A Promising Class of Scintillators for High-Resolution X-Ray Imaging Jiaqi Sun, Chuanhao Yao*, Huixin Xiang, Fenzhen Chen, Jiong Lu*, Wei Huang* Advanced Materials, 10.1002/adma.202514182, 2025
De-Saturation of Single-Atom Copper Catalysts for Accelerating Propargylic Substitution Reactions Qilong Cai, Yang Meng, Chao Wu, Wenjia Qu, Qiang Wang, Tan Li, Chengyi Liu, Jinxing Chen, Huihui, Lin, Qian He, Yafei Zhao*, Shibo Xi*, Jiong Lu* Advanced Materials, 10.1002/adma.202509221, 2025
Strain-coupled, crystalline polymer-inorganic interfaces for efficient magnetoelectric sensing Binbin He, Yuanyuan He, Wenhui Wang, Yingzhi Sun, Shengwen Kong, Jin Huang, Yunfei Ru, Bingchao Qin, Huili Ren, Jing He, Tianyi Zhao, Jing Li*, Jiong Lu, Li-Dong Zhao*, Mingjie Liu*Science 389, 623-631 (2025)
Merging d- and π-electron magnetism Shaotang Song, Jiong Lu* Nature Chemistry 17, 1307–1308 (2025)
Ultra-Clean Monolayer Amorphous Carbon Yields High Precision Proton Beam Huihui Lin, Jian Jiang, Yanxin Dou, Pin Lyu, Xiaocang Han, Yuan Meng, Yuanyuan He, Xin Zhou, Kangshu Li, Guoming Lin, Yu Teng, Jinxing Chen, Yang Meng, Thomas Osipowicz, Xiaoxu Zhao*, Xiao Cheng Zeng*, Jiong Lu* Nature Nanotechnology 10.1038/s41565-025-01968-3, 2025
Engineering Local Coordination and Electronic Structures of Dual-Atom Catalysts Xinzhe Li, Xuan Liu, Muzammil Hussain, Jiali Li, Zhongxin Chen, Yiyun Fang*, Chenliang Su*, Chi He*, Jiong Lu* ACS Nano 19, 18, 17114–17139, 2025
Breaking structural instability and orbital symmetry mismatch in p-block metal monochalcogenides for CO2 electroreduction via non-invasive van der Waals doping Pengfei Li, Xu Han, Fangqi Yang, Ning Li, Meng-Xuan Li, Jing Li*, Xiaoxu Zhao, Meng Zhao, Zejun Li, Wenping Hu*, and Jiong Lu* J. Am. Chem. Soc. 147, 22, 18982–18992, 2025
Defying the oxidative-addition prerequisite in cross-coupling through artful single-atom catalysts Jiwei Shi, Gang Wang, Duanshuai Tian, Xiao Hai*, Rongwei Meng, Yifan Xu, Yu Teng, Lu Ma, Shibo Xi, Youqing Yang, Xin Zhou, Xingjie Fu, Hengyu Li, Qilong Cai, Peng He, Huihui Lin, Jinxing Chen, Jiali Li, Jinghan Li, Qian He, Quan-Hong Yang, Jun Li, Dongshuang Wu*, Yang-Gang Wang*, Jie Wu* and Jiong Lu* Nature Communications 16, 3223 (2025)
Spin-1/2 Heisenberg chains realized in π-electron systems Xinnan Peng, Jiong Lu* Nature Synthesis 2025 10.1038/s44160-025-00757-z
Janus graphene nanoribbons with localized states on a single zigzag edge Shaotang Song, Yu Teng, Weichen Tang, Zhen Xu, Yuanyuan He, Jiawei Ruan, Takahiro Kojima, Wenping Hu, Franz J Giessibl, Hiroshi Sakaguchi*, Steven G Louie*, Jiong Lu* Nature 637, 580–586 (2025)
Atomic Gap-State Engineering of MoS2 for Alkaline Water and Seawater Splitting Tao Sun*, Tong Yang, Wenjie Zang, Jing Li, Xiaoyu Sheng, Enzhou Liu, Jiali Li, Xiao Hai, Huihui Lin, Cheng-Hao Chuang, Chenliang Su, Maohong Fan, Ming Yang, Ming Lin, Shibo Xi, Ruqiang Zou,* and Jiong Lu* ACS Nano 19, 5, 5447–5459, 2025
Designer topological-single-atom catalysts with site-specific selectivity Weibin Chen, Menghui Bao, Fanqi Meng, Bingbing Ma, Long Feng, Xuan Zhang, Zanlin Qiu, Song Gao, Ruiqin Zhong, Shibo Xi, Xiao Hai*, Jiong Lu* & Ruqiang Zou* Nature Communications 16, 574, 2025
1D Flat Bands in Phosphorene Nanoribbons with Pentagonal Nature Shuo Sun, Jing‐Yang You, Zhihao Cai, Jie Su, Tong Yang, Xinnan Peng, Yihe Wang, Daiyu Geng, Jian Gou, Yuli Huang, Sisheng Duan, Lan Chen, Kehui Wu, Andrew TS Wee, Yuan Ping Feng, Jia Lin Zhang, Jiong Lu*, Baojie Feng*, Wei Chen* Advanced Materials, 37 (5), 2411182, 2025
Atomic and electronic structure of defects in hBN: enhancing single-defect functionalities Zhizhan Qiu, Kristina Vaklinova, Pengru Huang, Magdalena Grzeszczyk, Kenji Watanabe, Takashi Taniguchi, Kostya S Novoselov, Jiong Lu*, Maciej Koperski* ACS Nano 18, 35, 24035–24043, 2024
Quantum tunnelling with tunable spin geometric phases in van der Waals antiferromagnets Man Cheng, Qifeng Hu, Yuqiang Huang, Chenyang Ding, Xiao-Bin Qiang, Chenqiang Hua, Hanyan Fang, Jiong Lu, Yuxuan Peng, Jinbo Yang, Chuanying Xi, Li Pi, Kenji Watanabe, Takashi Taniguchi, Hai-Zhou Lu, Kostya S Novoselov, Yunhao Lu, Yi Zheng Nature Physics 20, 1973–1979 (2024)
Air-stable wafer-scale ferromagnetic metallo-carbon nitride monolayer Pin Lyu‡, Ziying Wang‡, Na Guo‡, Jie Su‡, Jing Li*, Dongchen Qi, Shibo Xi, Huihui Lin, Qi-han Zhang, Stephen J. Pennycook, Jingsheng Chen, Xiaoxu Zhao*, Chun Zhang*, Kian Ping Loh* and Jiong Lu* J. Am. Chem. Soc. 146, 30, 20604–20614, 2024
Harnessing spin effects for heterogeneous single-atom spin catalysis Xu Han, Jinxing Chen, Peng He and Jiong Lu* National Science Review 11 (9), nwae217, 2024
Evidence for Electron-hole Crystals in a Mott Insulator Zhizhan Qiu†, Yixuan Han†, Keian Noori†, Zhaolong Chen†, Mikhail Kashchenko, Li Lin, Thomas Olsen, Jing Li, Hanyan Fang, Pin Lyu, Mykola Telychko, Xingyu Gu, Shaffique Adam, Su Ying Quek, Aleksandr Rodin, A. H. Castro Neto, Kostya S. Novoselov*, Jiong Lu* Nature Materials 23, 1055–1062 (2024)
Building artificial quantum solids via electrostatic assembly Zejun Li, Jing Li, and Jiong Lu* Matter 7 (3), 739-742 2024
Beyond Conventional Charge Density Wave for Strongly Enhanced Two-dimensional Superconductivity in 1H-TaS2 Superlattices Zejun Li†, Pin Lyu†, Zhaolong Chen†, Dandan Guan†, Shuang Yu†, Jinpei Zhao†, Pengru Huang*, Xin Zhou, Zhizhan Qiu, Hanyan Fang, Makoto Hashimoto, Donghui Lu, Fei Song, Kian Ping Loh, Yi Zheng*, Zhi-Xun Shen, Kostya S. Novoselov, Jiong Lu* Advanced Materials 36, 231234, 2024
Highly Selective On-Surface Ring-Opening of Aromatic Azulene Moiety Lulu Wang, Xinnan Peng, Jie Su, Junting Wang, Aurelio Gallardo, Hui Yang, Qifan Chen, Pin Lyu, Pavel Jelínek*, Junzhi Liu*, Ming Wah Wong*, and Jiong Lu* J. Am. Chem. Soc. doi.org/10.1021/jacs.3c11652, 2023
Highly-Entangled Polyradical Nanographene with Coexisting Strong Correlation and Topological Frustration Shaotang Song, Andrés Pinar Solé, Adam Matěj, Guangwu Li, Oleksandr Stetsovych, Diego Soler, Huimin Yang, Mykola Telychko, Jing Li, Manish Kumar, Qifan Chen, Shayan Edalatmanesh, Jiri Brabec, Libor Veis*, Jishan Wu*, Pavel Jelinek*, Jiong Lu* Nature Chemistry 2023 (In press)
Intelligent synthesis of magnetic nanographenes via chemist-intuited atomic robotic probe Jie Su, Jiali Li, Na Guo, Xinnan Peng, Jun Yin, Jiahao Wang, Pin Lyu, Zhiyao Luo, Koen Mouthaan, Jishan Wu, Chun Zhang*, Xiaonan Wang*, Jiong Lu* Nature Synthesis 2023 (In press)
Geminal-atom catalysis for cross-coupling Xiao Hai, Yang Zheng, Qi Yu, Na Guo, Shibo Xi*, Xiaoxu Zhao, Sharon Mitchell, Xiaohua Luo, Victor Tulus, Mu Wang, Xiaoyu Sheng, Longbin Ren, Xiangdong Long, Jing Li, Peng He, Huihui Lin, Yige Cui, Xinnan Peng, Jiwei Shi, Jie Wu, Chun Zhang, Ruqiang Zou, Gonzalo Guillén-Gosálbez, Javier Pérez-Ramírez*, Ming Joo Koh*, Ye Zhu*, Jun Li* & Jiong Lu* Nature 622, 754–760 (2023)
Giant gate-tunable renormalization of spin-correlated flat- band states and bandgap in a 2D magnetic insulator Lyu, Pin; Sødequist, Joachim; Sheng, Xiaoyu; Qiu, Zhizhan ; Tadich, Anton; Li, Qile; Edmonds, Mark; Zhao, Meng; Redondo, Jesús; Švec, Martin; Song, Peng; Olsen, Thomas*; Lu, Jiong * ACS Nano 17, 16, 15441–15448, 2023
Atomically-precise Vacancy-assembled Quantum Antidots Hanyan Fang, Harshitra Mahalingam, Xinzhe Li, Xu Han, Zhizhan Qiu, Yixuan Han, Keian Noori, Dikshant Dulal, Hongfei Chen, Pin Lyu, Tianhao Yang, Jing Li, Chenliang Su, Wei Chen, Yongqing Cai, Antonio Castro H Neto, Kostya S Novoselov, Aleksandr Rodin* and Jiong Lu* Nature Nanotechnology 2023, 10.1038/s41565-023-01495-z
Recent Advances in Heterogeneous Single-Cluster Catalysis Xinzhe Li, Sharon Mitchell, Yiyun Fang, Jun Li*, Javier Perez-Ramirez*, Jiong Lu* Nature Reviews Chemistry 7, 754–767 (2023) Nanoscale engineering of p-block metal-based catalysts towards industrial-scale electrochemical reduction of CO2 Pengfei Li, Fangqi Yang, Jing Li*, Qiang Zhu, Jian Wei Xu, Xian Jun Loh, Kuo-Wei Huang*, Wenping Hu* and Jiong Lu* Advanced Energy Materials DOI: 10.1002/aenm.202301597 2023
Ferromagnetic single-atom spin catalyst for boosting water splitting Tao Sun, Zhiyuan Tang, Wenjie Zang, Zejun Li, Jing Li, Zhihao Li, Liang Cao, Jan Sebastian Dominic Rodriguez, Carl Osby M. Mariano, Haomin Xu, Pin Lyu, Xiao Hai, Huihui Lin, Xiaoyu Sheng, Jiwei Shi, Yi Zheng, Ying-Jui Lu, Qian He, Jingsheng Chen, Kostya S Novoselov, Cheng-Hao Chuang*, Shibo Xi*, Xin Luo* and Jiong Lu* Nature Nanotechnology 18, 763–771, 2023
Navigating the Site-Distinct Energy Conversion Properties of Perovskite Quantum Wells Fei Cao, Dejian Yu, Mykola Telychko, Jiong Lu*, Peiyuan Pang, Chenliang Su*, Guichuan Xing* ACS Energy Letters 8 (2), 1236-1265, 2023
Catalytically Active Atomically Thin Cuprate with Periodic Cu Single Sites Huimin Yang, Shibo Xi, Na Guo, Mu Wang, Lingmei Liu, Pin Lyu, Xiaolong Yu, Jing Li, Haomin Xu, Xiao Hai, Zejun Li, Xinzhe Li, Tao Sun, Xiaoxu Zhao, Yu Han, Wei Yu, Jie Wu, Chun Zhang*, Honghan Fei*, Ming Joo Koh*, Jiong Lu* National Science Review 10 (1), nwac100, 2023
Gate-tunable resonance state and screening effects for proton-like atomic charge in graphene Telychko, Mykola, Noori, Keian ; Biswas, Hillol ; Dulal, Dikshant ; Chen, Zhaolong; Lyu, Pin ; Li, Jing; Tsai, Hsin-Zon; Fang, Hanyan ; Qiu, Zhizhan ; Yap, Zhun ; Watanabe, Kenji; Taniguchi, Takashi; WU, Jing; Loh, Kian Ping; Crommie, Michael; Rodin, Aleksandr*, Lu, Jiong* Nano Letters 22, 21, 8422–8429, 2022
Energy Spotlight: Toward the Design of High-Efficiency Perovskite Solar Cells Philip Schulz* and Jiong Lu* ACS Energy Letters 7 (7), 2401-2402, 2022
Aromatic Ring Fusion to Benzoporphyrin via γ-ortho Cyclodehydrogenation on a Ag(111) Surface Xue-Qing Yang, Jun-Jie Duan, Jie Su, Xinnan Peng, Zhen-Yu Yi, Ruo-Ning Li, Jiong Lu, Sheng-Fu Wang, Ting Chen, Dong Wan ACS nano 16 (8), 13092-13100, 2022
Sub-angstrom Non-invasive Imaging of Atomic Arrangement in 2D Hybrid Perovskites Mykola Telychko†, Shayan Edalatmanesh†, Kai Leng†, Ibrahim Abdelwahab, Na Guo, Chun Zhang, Jesús I Mendieta-Moreno, Matyas Nachtigall, Jing Li, Kian Ping Loh*, Pavel Jelínek* and Jiong Lu* Science Advances 8, eabj0395 (2022)
Learning motifs and their hierarchies in atomic resolution microscopy Jiadong Dan, Xiaoxu Zhao, Shoucong Ning, Jiong Lu, Kian Ping Loh, Qian He, N Duane Loh, Stephen J Pennycook Science Advances 8, eabk1005 (2022)
Electronic Self-passivation of Single Vacancy in Black Phosphorus via Ionization Hanyan Fang†, Aurelio Gallardo†, Dikshant Dulal, Zhizhan Qiu, Jie Su, Mykola Telychko, Harshitra Mahalingam, Pin Lyu, Yixuan Han, Yi Zheng, Yongqing Cai, Aleksandr Rodin*, Pavel Jelínek* and Jiong Lu* Physical Review Letters 128, 176801 (2022)
Degradation chemistry and kinetic stabilization of magnetic CrI3 Taiming Zhang, Magdalena Grzeszczyk*, Jing Li, Wei Yu, Haomin Xu, Peng He, Liming Yang, Zhizhan Qiu, HuiHui Lin, Huimin Yang, Jian Zeng, Tao Sun, Zejun Li, Jishan Wu, Ming Lin, Kian Ping Loh, Chenliang Su, Kostya S. Novoselov, Alexandra Carvalho*, Maciej Koperski*, Jiong Lu* Journal of the American Chemical Society 144, 12, 5295–5303 (2022)
Atomically Precise Single Metal Oxide Cluster Catalyst with Oxygen-Controlled Activity Xinzhe Li†, Na Guo†, Zhongxin Chen†, Xin Zhou†, Xiaoxu Zhao, Yonghua Du, Lu Ma, Haomin Xu, Yiyun Fang, Huimin Yang, Wei Yu, Shangchen Lu, Mingjiao Tian, Qian He, Kian Ping Loh, Shibo Xi*, Chun Zhang*, Jiong Lu* Advanced Functional Materials DOI: 10.1002/adfm.202200933 (2022)
Scalable two-step annealing method for preparing ultra-high-density single-atom catalyst libraries Xiao Hai†, Shibo Xi†, Sharon Mitchell†, Karim Harrath†, Haomin Xu, Dario Faust Akl, Debin Kong, Jing Li, Zejun Li, Tao Sun, Huimin Yang, Yige Cui, Chenliang Su, Xiaoxu Zhao*, Jun Li*, Javier Pérez-Ramírez* & Jiong Lu* Nature Nanotechnology 17 (2), 174-181 (2022)
Visualizing Designer Quantum States in Stable Macrocycle Quantum Corrals Xinnan Peng†, Harshitra Mahalingam†, Shaoqiang Dong†, Pingo Mutombo, Jie Su, Mykola Telychko, Shaotang Song, Pin Lyu, Pei Wen Ng, Jishan Wu, Pavel Jelinek*, Chunyan Chi*, Aleksandr Rodin* and Jiong Lu* Nature Communications 2 (1), 1-9, (2021)
Manifold Dynamic Non-Covalent Interactions for Steering Molecular Assembly and Cyclization Shaotang Song†, Lulu Wang†, Jie Su†, Zhen Xu, C Hsu, Chenqiang Hua, Pin Lyu, Jing Li, Xinnan Peng, Takahiro Kojima, Shunpei Nobusue, Mykola Telychko, Yi Zheng, F Chuang, Hiroshi Sakaguchi*, Ming Wah Wong*, Jiong Lu* Chemical Science 12, 11659-11667 (2021) ChemSci Pick of the Week Collection
Machine Vision Automated Chiral Molecule Detection and Classification in Molecular Imaging Jiali Li†, Mykola Telychko†, Jun Yin, Yixin Zhu, Guangwu Li, Shaotang Song, Haitao Yang, Jing Li, Jishan Wu, Jiong Lu*, and Xiaonan Wang* J. Am. Chem. Soc. 143 (27), 10177-10188 2021 (ACS Editors' Choice)
Zero-valent Palladium Single-Atoms Catalysts Confined in Black Phosphorus for Efficient Semi-hydrogenation Cheng Chen, Wei Ou, Kah-Meng Yam, Shibo Xi, Xiaoxu Zhao, Si Chen, Jing Li, Pin Lyu, Lu Ma, Yonghua Du, Wei Yu, Hanyan Fang, Chuanhao Yao, Xiao Hai, Haomin Xu, Ming Joo Koh, Stephen J. Pennycook, Junling Lu, Ming Lin*, Chenliang Su*, Chun Zhang*, Jiong Lu* Advanced Materials 2008471, 2021
Electrostatically Tunable Near-Infrared Plasmonic Resonances in Solution-Processed Atomically Thin NbSe2 Meng Zhao*, Jing Li, Matej Sebek, Le Yang, Yan Jun Liu, Michel Bosman, Qian Wang, Xinting Zheng, Jiong Lu, Jinghua Teng* Advanced Materials 10.1002/adma.202101950 (2021)
Ordered clustering of single atomic Te vacancies in atomically thin PtTe2 promotes hydrogen evolution catalysis Xinzhe Li†, Yiyun Fang†, Jun Wang†, Hanyan Fang†, Shibo Xi, Xiaoxu Zhao, Danyun Xu, Haomin Xu, Wei Yu, Xiao Hai, Cheng Chen, Chuanhao Yao, Hua Bing Tao, Alexander G. R. Howe, Stephen J. Pennycook, Bin Liu*, Jiong Lu* & Chenliang Su* Nature Communications 12, 2351 (2021)
Tuning the Spin Density of Cobalt Single-Atom Catalysts for Efficient Oxygen Evolution Zejun Li, Zeyu Wang, Shibo Xi, Xiaoxu Zhao, Tao Sun, Jing Li, Wei Yu, Haomin Xu, Tun Seng Herng, Xiao Hai, Pin Lyu, Meng Zhao, Stephen J. Pennycook, Jun Ding, Hai Xiao*, and Jiong Lu* ACS Nano 15, 4, 7105–7113, 2021
On-surface synthesis of graphene nanostructures with π-magnetism Shaotang Song, Jie Su, Mykola Telychko, Jing Li, Guangwu Li, Ying Li, Chenliang Su,* Jishan Wu,* and Jiong Lu* Chemical Society Reviews, 50, 3238-3262, 2021
Ultra-high Yield On-surface Synthesis and Assembly of Circumcoronene into Chiral Electronic Kagome-honeycomb Lattice Mykola Telychko†, Guangwu Li†, Pingo Mutombo, Diego Soler-Polo, Xinnan Peng, Jie Su, Shaotang Song, Ming Joo Koh, Mark Edmonds, Pavel Jelinek*, Jishan Wu*, Jiong Lu* Science Advances 7, eabf0269, 2021
Visualizing atomic structure and magnetism of 2D magnetic insulators via tunneling through graphene Zhizhan Qiu†, Matthew Holwill†, Thomas Olsen†, Pin Lyu, Jing Li, Hanyan Fang, Huimin Yang, Mikhail Kashchenko, Kostya S. Novoselov*, Jiong Lu* Nature Communications 12, 70 (2021)
On-surface Synthesis and Characterization of [7]Triangulene Quantum Ring Jie Su†, Wei Fan†, Pingo Mutombo†, Xinnan Peng, Shaotang Song, Ondráček, Martin; Golub, Pavlo; Brabec, Jiri; Veis, Libor, Mykola Telychko, Pavel Jelinek*, Jishan Wu*, Jiong Lu* Nano Lett. 21, 1, 861–867, 2021
Printable two-dimensional superconducting monolayers Jing Li†, Peng Song†, Jinpei Zhao†, Kristina Vaklinova†, Xiaoxu Zhao†, Zejun Li, Zhizhan Qiu, Zihao Wang, Li Lin, Meng Zhao, Tun Seng Herng, Yuxin Zuo, Win Jonhson, Wei Yu, Xiao Hai, Pin Lyu, Haomin Xu, Huimin Yang, Cheng Chen, Stephen J. Pennycook, Jun Ding, Jinghua Teng, A. H. Castro Neto, Kostya S. Novoselov,* Jiong Lu* Nature Materials, 20 (2), 181-187, 2021
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