Top 10 publications:
(1) Haobo Li, Yunling Jiang, Xinyu Li, Kenneth Davey, Yao Zheng, Yan Jiao*, Shi-Zhang Qiao*, C2+ selectivity for CO2 electroreduction on oxidized Cu-based catalysts, Journal of the American Chemical Society 2023, 145, 14335-14344. https://pubs.acs.org/doi/full/10.1021/jacs.3c03022 (Highly-Cited Paper)
(2) Haobo Li, Yan Jiao, Kenneth Davey, Shi-Zhang Qiao*, Data-driven machine learning for understanding surface structures of heterogeneous catalysts, Angewandte Chemie International Edition 2023, 135, e202216383. https://onlinelibrary.wiley.com/doi/10.1002/anie.202216383 (Highly-Cited Paper)
(3) Haobo Li, Jianping Xiao, Qiang Fu*, Xinhe Bao, Confined catalysis under two-dimensional materials, Proceedings of the National Academy of Sciences of the United States of America 2017, 114, 5930-5934. https://www.pnas.org/doi/abs/10.1073/pnas.1701280114
(4) Haobo Li*, Karsten Reuter, Ab initio thermodynamic stability of carbide catalysts under electrochemical conditions, ACS Catalysis 2022, 12, 10506-10513. https://pubs.acs.org/doi/full/10.1021/acscatal.2c01732
(5) Haobo Li*, Yunxia Liu, Ke Chen, Johannes T. Margraf, Youyong Li, Karsten Reuter, Subgroup discovery points to the prominent role of charge transfer in breaking nitrogen scaling relations at single-atom catalysts on VS2, ACS Catalysis 2021, 11, 7906-7914. https://pubs.acs.org/doi/full/10.1021/acscatal.1c01324
(6) Haobo Li*, Karsten Reuter, Active-site computational screening: role of structural and compositional diversity for the electrochemical CO2 reduction at Mo carbide catalysts, ACS Catalysis 2020, 10, 11814-11821. https://pubs.acs.org/doi/full/10.1021/acscatal.0c03249
(7) Haobo Li, Chenxi Guo, Qiang Fu, Jianping Xiao*, Toward fundamentals of confined electrocatalysis in nanoscale reactors, The Journal of Physical Chemistry Letters 2019, 10, 533-539. https://pubs.acs.org/doi/full/10.1021/acs.jpclett.8b03448
(8) Yanzhang Zhao, Huan Li, Jieqiong Shan, Zhen Zhang, Xinyu Li, Javen Qinfeng Shi, Yan Jiao, Haobo Li*, Machine-learning confirms formation mechanism of single-atom catalyst via infrared spectroscopic analysis, The Journal of Physical Chemistry Letters 2023, 14, 11058-11062. https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.3c02896
(9) Doudou Zhang, Haobo Li*, Haijiao Lu, Zongyou Yin, Zelio Fusco, Asim Riaz, Karsten Reuter, Kylie Catchpole, Siva Karuturi*, Unlocking the performance of ternary metal (hydro) oxide amorphous catalysts via data-driven active-site engineering, Energy & Environmental Science 2023, 16, 5065-5075. https://pubs.rsc.org/en/content/articlelanding/2023/ee/d3ee01981k
(10) Feng Jiao#, Jinjing Li#, Xiulian Pan#*, Jianping Xiao, Haobo Li, Hao Ma, Mingming Wei, Yang Pan, Zhongyue Zhou, Mingrun Li, Shu Miao, Jian Li, Yifeng Zhu, Dong Xiao, Ting He, Junhao Yang, Fei Qi, Qiang Fu, Xinhe Bao*, Selective conversion of syngas to light olefins, Science 2016, 351, 1065-1068. https://www.science.org/doi/full/10.1126/science.aaf1835 (Highly-Cited Paper)

Publication list (excluding Top 10; sorted by time):
(1) Haihua Wu, Yudan Li, Haobo Li, Feng Wu, Lihong Li, Xin Xu, Yunfang Gao, Compressively strained Fe3O4 in core-shell oxygen reduction electrocatalyst boosts zinc-air battery performance, Small, 2024, 2404065.
(2) Yunling Jiang#, Haobo Li(co-first author)#, Chaojie Chen, Yao Zheng, Shi-Zhang Qiao, Dynamic Cu0/Cu+ Interface Promotes Acidic CO2 Electroreduction, ACS Catalysis, 2024, 14, 8310-8316.
(3) Zhenjie Liu, Guanjie Li, Murong Xi, Yudai Huang, Haobo Li, Huanyu Jin, Juan Ding, Shilin Zhang, Chaofeng Zhang, Zaiping Guo, Interfacial engineering of Zn metal via a localized conjugated layer for highly reversible aqueous zinc ion battery, Angewandte Chemie International Edition 2024, 136, e202319091.
(4) Jie Zhao, Xiaoyan Wang, Haobo Li, Xiaoyong Xu, Interpretable machine learning-assisted screening of perovskite oxides, RSC Advances 2024, 14, 3909-3922.
(5) Xiaoyong Xu*#, Haobo Li (co-first author)#, Xu Han, Yao Zheng*, Enhancing electrochemical methane coupling in solid oxide cells by tuning oxygen species in the catalyst, Journal of Materials Chemistry A 2024, 12, 5115-5123.
(6) Xinyu Li#, Haobo Li (co-first author)#, Zhen Zhang, Javen Qinfeng Shi, Yan Jiao, Shi-Zhang Qiao*, Active-learning accelerated computational screening of A2B@NG catalysts for CO2 electrochemical reduction, Nano Energy 2023, 115, 108695.
(7) Haihua Wu#, Xin Xu#, Jiahao Wu, Juanjuan Zhai, Feng Wu, Yudan Li, Sen Jiang, Jiangwei Zhang*, Haobo Li*, Yunfang Gao*, Atomic engineering modulates oxygen reduction of hollow carbon matrix confined single metal-nitrogen sites for zinc-air batteries, Small 2023, 19, 2301327.
(8) Yiran Jiao, Haobo Li, Yan Jiao*, Shi-Zhang Qiao*, Activity and selectivity roadmap for C-N electro-coupling on MXenes, Journal of the American Chemical Society 2023, 145, 15572-15580.
(9) Haifeng Shen#, Huanyu Jin#, Haobo Li (co-first author)#, Herui Wang, Jingjing Duan, Yan Jiao, Shi-Zhang Qiao*, Acidic CO2-to-HCOOH electrolysis with industrial-level current on phase engineered tin sulfide, Nature Communications 2023, 14, 2043. (Highly-Cited Paper)
(10) Thomas Mairegger, Haobo Li, Christoph Grießer, Daniel Winkler, Jakob Filser, Nicolas G Hörmann, Karsten Reuter, Julia Kunze-Liebhäuser*, Electroreduction of CO2 in a non-aqueous electrolyte - the generic role of acetonitrile, ACS Catalysis 2023, 13, 5780-5786.
(11) Shuai Zhang, Haobo Li, Lei Wang, Jiandang Liu, Guijie Liang, Kenneth Davey, Jingrun Ran*, Shi-Zhang Qiao*, Boosted photoreforming of plastic waste via defect-rich NiPS3 nanosheets, Journal of the American Chemical Society 2023, 145, 6410-6419. (Highly-Cited Paper)
(12) Hefei Li#, Haobo Li (co-first author)#, Pengfei Wei, Yi Wang, Yipeng Zang, Dunfeng Gao*, Guoxiong Wang*, Xinhe Bao*, Tailoring acidic microenvironments for carbon-efficient CO2 electrolysis over Ni-N-C catalyst in a membrane electrode assembly electrolyzer, Energy & Environmental Science 2023, 16, 1502-1510. (Highly-Cited Paper)
(13) Wei Wei, Chi Zhang, Haobo Li, Jiaqi Pan, Zhen Tan, Yajuan Li, Yi Cui*, In situ growth dynamics of uniform bilayer graphene with different twisted angles following layer-by-layer mode, The Journal of Physical Chemistry Letters 2022, 13, 11201-11207.
(14) Huanyu Jin#, Huimin Yu#, Haobo Li, Kenneth Davey, Taeseup Song, Ungyu Paik, Shi-Zhang Qiao*, MXene analogue: a 2D nitridene solid solution for high-rate hydrogen production, Angewandte Chemie International Edition 2022, 61, e202203850. (Highly-Cited Paper)
(15) Doudou Zhang, Haobo Li*, Asim Riaz, Astha Sharma, Wensheng Liang, Yuan Wang, Hongjun Chen, Kaushal Vora, Di Yan, Zhen Su, Antonio Tricoli, Chuan Zhao, Fiona J. Beck, Karsten Reuter, Kylie Catchpole*, Siva Karuturi*, Unconventional direct synthesis of Ni3N/Ni with N-vacancies for efficient and stable hydrogen evolution, Energy & Environmental Science 2022, 15, 185-195.
(16) Long Lin#, Haobo Li (co-first author)#, Yi Wang, Hefei Li, Pengfei Wei, Bing Nan, Rui Si, Guoxiong Wang*, Xinhe Bao, Temperature-dependent CO2 electroreduction over Fe-N-C and Ni-N-C single-atom catalysts, Angewandte Chemie International Edition 2021, 60, 26582-26586.
(17) Christoph Griesser#, Haobo Li (co-first author)#, Eva-Maria Wernig#, Daniel Winkler, Niusha Shakibi Nia, Thomas Mairegger, Thomas Götsch, Thomas Schachinger, Andreas Steiger-Thirsfeld, Simon Penner, Dominik Wielend, David Egger, Christoph Scheurer, Karsten Reuter, Julia Kunze-Liebhäuser*, True nature of the transition-metal carbide/liquid interface determines its reactivity, ACS Catalysis 2021, 11, 4920-4928.
(18) Jinhu Dong, Qiang Fu*, Haobo Li, Jianping Xiao, Bing Yang, Bingsen Zhang, Yunxing Bai, Tongyuan Song, Rankun Zhang, Lijun Gao, Jun Cai, Hui Zhang, Zhi Liu, Xinhe Bao, Reaction-induced strong metal-support interactions between metals and inert boron nitride nanosheets, Journal of the American Chemical Society 2020, 142, 17167-17174. (Highly-Cited Paper)
(19) Xiaoju Cui#, Pengju Ren#, Chao Ma, Jia Zhao, Ruixue Chen, Shiming Chen, N. Pethan Rajan, Haobo Li, Liang Yu, Zhongqun Tian, Dehui Deng*, Robust interface Ru centers for high-performance acidic oxygen evolution, Advanced Materials 2020, 32, 1908126.
(20) Long Lin#, Haobo Li (co-first author)#, Chengcheng Yan, Hefei Li, Rui Si, Mingrun Li, Jianping Xiao, Guoxiong Wang*, Xinhe Bao, Synergistic catalysis over iron-nitrogen sites anchored with cobalt phthalocyanine for efficient CO2 electroreduction, Advanced Materials 2019, 31, 1903470. (Highly-Cited Paper)
(21) Suheng Wang#, Haobo Li (co-first author)#, Mengqi He, Xiaoju Cui, Lei Hua, Haiyang Li, Jianping Xiao, Liang Yu, N. Pethan Rajan, Zhaoxiong Xie, Dehui Deng*, Room-temperature conversion of ethane and the mechanism understanding over single iron atoms confined in graphene, Journal of Energy Chemistry 2019, 36, 47-50.
(22) Anqi Wang#, Man Zhang#, Haobo Li, Fan Wu, Kai Yan*, Jianping Xiao*, Combination of theory and experiment achieving a rational design of electrocatalysts for hydrogen evolution on the hierarchically mesoporous CoS2 microsphere, The Journal of Physical Chemistry C 2019, 123, 13428-13433.
(23) Yi Cheng#, Shiyong Zhao#, Haobo Li (co-first author)#, Shuai He, Jean-Pierre Veder, Bernt Johannessen, Jianping Xiao, Shanfu Lu, Jian Pan, Mattew F. Chisholm, Shi-Ze Yang*, Chang Liu*, Jingguang G. Chen, San Ping Jiang*, Unsaturated edge-anchored Ni single atoms on porous microwave exfoliated graphene oxide for electrochemical CO2, Applied Catalysis B: Environmental 2019, 243, 294-303. (Highly-Cited Paper)
(24) Ruiqi Li, Yuqian Liu, Haobo Li, Man Zhang, Yiran Lu, Lin Zhang, Jianping Xiao, Frank Boehm, Kai Yan*, One-step synthesis of NiMn-layered double hydroxide nanosheets efficient for water oxidation, Small Methods 2019, 3, 1800344.
(25) Anqi Wang#, Haobo Li (co-first author)#, Jianping Xiao, Yiran Lu, Man Zhang, Kang Hu, Kai Yan*, Integration of theory and experiment on mesoporous nickel sulfide microsphere for hydrogen evolution reaction, ACS Sustainable Chemistry & Engineering 2018, 6, 15995-16000.
(26) Xingyun Li#*, Baining Lin#, Haobo Li (co-first author)#, Qiang Yu, Ying Ge, Xiao Jin, Xuehua Liu, Yonghua Zhou*, Jianping Xiao*, Carbon doped hexagonal BN as a highly efficient metal-free base catalyst for Knoevenagel condensation reaction, Applied Catalysis B: Environmental 2018, 239, 254-259.
(27) Xiaole Jiang#, Haobo Li (co-first author)#, Jianping Xiao, Dunfeng Gao, Rui Si, Fan Yang, Yanshuo Li*, Guoxiong Wang*, Xinhe Bao*, Carbon dioxide electroreduction over imidazolate ligands coordinated with Zn(II) center in ZIFs, Nano Energy 2018, 52, 345-350.
(28) Xiaoju Cui, Haobo Li, Yan Wang, Yuanli Hu, Lei Hua, Haiyang Li, Xiuwen Han, Qingfei Liu, Fan Yang, Limin He, Xiaoqi Chen, Qingyun Li, Jianping Xiao, Dehui Deng*, Xinhe Bao*, Room-Temperature methane conversion by graphene-confined single iron atoms, Chem 2018, 4, 1902-1910. (Highly-Cited Paper)
(29) Chengcheng Yan#, Haobo Li (co-first author)#, Yifan Ye, Haihua, Wu, Fan Cai, Rui Si, Jianping Xiao, Shu Miao, Songhai Xie, Fan Yang, Yanshuo Li, Guoxiong Wang*, Xinhe Bao*, Coordinatively unsaturated nickel-nitrogen sites towards selective and high-rate CO2 electroreduction, Energy & Environmental Science 2018, 11, 1204-1210. (Highly-Cited Paper)
(30) Junying Wang#, Xiaoju Cui#, Haobo Li (co-first author)#, Jianping Xiao, Jiang Yang, Xiaoyu Mu, Haixiao Liu, Yuan-Ming Sun, Xuhui Xue, Changlong Liu, Xiao-Dong Zhang*, Dehui Deng*, Xinhe Bao, Highly efficient catalytic scavenging of oxygen free radicals with graphene-encapsulated metal nanoshields, Nano Research 2018, 11, 2821-2835.
(31) Jiao Deng, Haobo Li, Suheng Wang, Ding Ding, Mingshu Chen, Chuan Liu, Zhongqun Tian, K. S. Novoselov, Chao Ma, Dehui Deng*, Xinhe Bao*, Multiscale structural and electronic control of molybdenum disulfide foam for highly efficient hydrogen production, Nature Communications 2017, 8, 14430. (Highly-Cited Paper)
(32) Yifan Ye, Haobo Li, Fan Cai, Chengcheng Yan, Rui Si, Shu Miao, Yanshuo Li*, Guoxiong Wang*, Xinhe Bao, Two-dimensional mesoporous carbon doped with Fe-N active sites for efficient oxygen reduction, ACS Catalysis 2017, 7, 7638-7646.
(33) Pan Li, Haobo Li, Xiulian Pan*, Kai Tie, Tingting Cui, Minzheng Ding, Xinhe Bao*, Catalytically active boron nitride in acetylene hydrochlorination, ACS Catalysis 2017, 7, 8572-8577.
(34) Lijun Gao#, Ying Wang#, Haobo Li, Qihao Li, Na Ta, Lin Zhuang*, Qiang Fu*, Xinhe Bao, A nickel nanocatalyst within h-BN shell for enhanced hydrogen oxidation reacitons, Chemical Science 2017, 8, 5728-5734.
(35) Yifan Ye, Fan Cai, Haobo Li, Haihua Wu, Guoxiong Wang*, Yanshuo Li*, Shu Miao, Songhai Xie, Rui Si, Jian Wang, Xinhe Bao*, Surface functionalization of ZIF-8 with ammonium ferric citrate toward high exposure of Fe-N active sites for efficient oxygen and carbon dioxide electroreduction, Nano Energy 2017, 38, 281-289.
(36) Qingfei Liu, Yun Liu, Haobo Li, Lulu Li, Dehui Deng, Fan Yang*, Xinhe Bao*, Towards the atomic-scale characterization of isolated iron sites confined in a nitrogen-doped graphene matrix, Applied Surface Science 2017, 410, 111-116.
(37) Jianping Xiao, Xiulian Pan*, Fan Zhang, Haobo Li, Xinhe Bao*, Size-dependence of carbon nanotube confinement in catalysis, Chemical Science 2017, 8, 278-283.
(38) Haihua Wu#, Haobo Li (co-first author)#, Xinfei Zhao, Qiangfei Liu, Jing Wang, Jianping Xiao, Songhai Xie, Rui Si, Fan Yang, Shu Miao, Xiaoguang Guo, Guoxiong Wang*, Xinhe Bao*, Highly doped and exposed Cu(I)-N active sites within graphene toward efficient oxygen reduction for zinc-air batteries, Energy & Environmental Science 2016, 9, 3736-3745. (Highly-Cited Paper)
(39) Yuchuan Tu#, Haobo Li (co-first author)#, Dehui Deng*, Jianping Xiao, Xiaoju Cui, Ding Ding, Mingshu Chen, Xinhe Bao*, Low charge overpotential of lithium-oxygen batteries with metallic Co encapsulated in single-layer graphene shell as the catalyst, Nano Energy 2016, 30, 877-884.
(40) Yang Yang, Qiang Fu*, Haobo Li, Mingming Wei, Jianping Xiao, Wei Wei, Xinhe Bao, Creating a nanospace under an h-BN cover for adlayer growth on nickel(111), ACS Nano 2015, 9, 11589-11598.
(41) Yanhong Zhang, Xuefei Weng, Huan Li, Haobo Li, Mingming Wei, Jianping Xiao, Zhi Liu, Mingshu Chen*, Qiang Fu*, Xinhe Bao, Hexagonal boron nitride cover on Pt(111): A new route to tune molecule-metal interaction and metal-catalyzed reactions, Nano Letters 2015, 15, 3616-3623.
(42) Jiao Deng#, Haobo Li (co-first author)#, Jianping Xiao, Yunchuan Tu, Dehui Deng*, Huaixin Yang, Huanfang Tian, Jianqi Li, Pengju Ren, Xinhe Bao*, Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS2 surface via single-atom metal doping, Energy & Environmental Science 2015, 8, 1594-1601. (Highly-Cited Paper)
(43) Dehui Deng#*, Xiaoqi Chen#, Liang Yu, Xing Wu, Qingfei Liu, Yun Liu, Huaixin Yang, Huanfang Tian, Yongfeng Hu, Peipei Du, Rui Si, Junhu Wang, Xiaoju Cui, Haobo Li, Jianping Xiao, Tao Xu, Jiao Deng, Fan Yang, Paul N. Duchesne, Peng Zhang, Jigang Zhou, Litao Sun, Jianqi Li, Xiulian Pan, Xinhe Bao*, A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature, Science Advance 2015, 1, e1500462. (Highly-Cited Paper)
(44) Haobo Li, Xiaochuan Duan, Jianmin Ma, Wenjun Zheng*, A controllable ionic liquid-assisted hydrothermal route to prepare CoCO3 crystals and their conversion to porous Co3O4, Crystal Research & Technology 2012, 47, 25-30.
(45) Xiaochuan Duan, Xiaodi Liu, Qing Chen, Haobo Li, Jie Li, Xia Hu, Yingying Li, Jianmin Ma, Wenjun Zheng*, Ionic liquid-assisted synthesis of CdSe dendrites from nanospheres through oriented attachment, Dalton Transactions 2011, 40, 1924-1928.
(46) Tongil Kim, Haobo Li, Jiabiao Lian, Huaihai Jin, Jianmin Ma, Xiaochuan Duan, Gang Yao, Wenjun Zheng*, Ionic liquid-assisted hydrothermal synthesis of gamma-Al2O3 hierarchical nanostructures, Crystal Research & Technology 2010, 45, 767-770.
(47) Jianmin Ma, Xiaochuan Duan, Jiabiao Lian, Tongil Kim, Peng Peng, Xiaodi Liu, Zhifang Liu, Haobo Li, Wenjun Zheng*, Sb2S3 with various nanostructures: Controllable synthesis, formation mechanism, and electrochemical performance toward lithium storage, Chemistry-A European Journal 2010, 16, 13210-13217.
(48) Jiabiao Lian, Jianmin Ma, Xiaochuan Duan, Tongil Kim, Haobo Li, Wenjun Zheng*, One-step ionothermal synthesis of gamma-Al2O3 mesoporous nanoflakes at low temperature, Chemical Communications 2010, 46, 2650-2652.    
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