- L. Xia#, B. F. Gomes#, W. Jiang#, D. Escalera-López, Y. Wang, Y. Hu, A. Y. Faid, K.Wang, T. Chen, K. Zhao, X. Zhang, Y. Zhou, R. Ram, B. Polesso, A. Guha, J. Su, C. M. S. Lobo, M. Haumann, R. Spatschek, S. Sunde, L. Gan, M. Huang, X. Zhou, C. Roth, W. Lehnert, S. CherevkoL. L.-Y. Gan*, F. Pelayo García de Arquer,* and M. Shviro*,“Operando-Informed Precatalyst Programming towards Reliable High Current Density Electrolysis”, Nat. Mater. (2025). 
- Y. Feng, S. Gong, Y. Wang, C. Ban, X. Qu, J. Ma, Y. Duan, C. Lin, D. Yu, L. Xia, X. Chen, X. Tao, L.-Y. Gan*, X. Zhou*, “Noble-Metal-Free Cocatalysts Reinforcing Hole Consumption for Photocatalytic Hydrogen Evolution with Ultrahigh Apparent Quantum Efficiency”, Adv. Mater. 37, 2412965 (2025). 
- Y. Duan, Y. Wang, W. Zhang, C. Ban, Y. Feng, X. Tao, A. Li, K. Wang, X. Zhang, X. Han, W. Fan, B. Zhang, H. Zou, L.-Y. Gan*, G. Han*, X. Zhou*, “Large-Scale Synthesis of High-Loading Single Metallic Atom Catalysts by a Metal Coordination Route”, Adv. Mater. 36, 2404900 (2024). 
- C. Ban, Y. Wang, Y. Feng, Z. Zhu, Y. Duan, J. Ma, X. Zhang, X. Liu, K. Zhou, H. Zou, D. Yu, X. Tao, L.-Y. Gan*, G. Han*, X. Zhou*, “Photochromic Single Atom Ag/TiO2 Catalysts for Selective CO2 Eeduction to CH4”, Energy Environ. Sci. 17, 518 (2024). Outside back cover. 
- J. Zhong, Z. Liang, N. Liu, Y. Xiang, B. Yan, F. Zhu, X. Xie, X. Gui, L.-Y. Gan*, H. B. Yang*, D. Yu, Z. Zeng*, G. Yang, “Engineering Symmetry-Breaking Centers and d-Orbital Modulation in Triatomic Catalysts for Zinc-Air Batteries”, ACS Nano 18, 5258 (2024). 
- X. Liu, S. Jing, K. Wang, C. Ban, J. Ding, Y. Feng, Y. Duan, J. Ma, D. Yu, X. Han, C. Wang,* L.-Y. Gan*, X. Zhou*, “Double Bonuses Achieved in Single-Atom Catalysts for Efficient Oxygen Evolution: Enhanced Reaction Kinetics and Reinforced Electrochemical Reconstruction”, Adv. Funct. Mater. 2309824 (2023). 
- J. Ma, X. Xiong, D. Wu, Y. Wang, C. Ban, Y. Feng, J. Meng, X. Gao, J.-Y. Dai, G. Han*, L.-Y. Gan*, X. Zhou*, “Band Position-Independent Piezo-Electrocatalysis for Ultrahigh CO2 Conversion”, Adv. Mater. 35, 2300027 (2023). 
- Y. Duan, Y. Wang, W. Zhang, J. Zhang, C. Ban, D. Yu, K. Zhou, J. Tang, X. Zhang, X. Han, L.-Y. Gan*, X. Tao*, X. Zhou*, “Simultaneous CO2 and H2O Activation via Integrated Cu Single Atom and N Vacancy Dual-Site for Enhanced CO Photo-Production”, Adv. Funct. Mater. 33, 2301729 (2023). 
- J. Ma, L. Xia, D. Wu, Y. Feng, C. Ban., L. Ruan, J. Guan, M. Zhang, R. Zhou, J.-Y. Dai, L.-Y. Gan*, X. Zhou*, “High-Efficiency CO2 Conversion via Mechano-Driven Dynamic Strain Engineering of ZnO Nanostructures”, Nano Energy 121, 109258 (2024). 
- J. Ma, D. Wu, Y. Feng, C. Ban, L. Xia, L. Ruan, J. Guan, Y. Wang, J. Meng, J.-Y. Dai*, L.-Y. Gan*, X. Zhou*, “Physical Mixing of Piezo-Electrocatalysts and Graphene Oxide to Promote CO2 Conversion”, Nano Energy 115, 108719 (2023). 
- X. Zhang, J.-Y. Zheng, Y.-C. Xiang, D.Wu, J. Fan, Y.-Y. Sun, L.-J. Chen*, L.-Y. Gan*, X. Zhou*, “Ohmic Contacts in MXene/MoSi2N4 Heterojunctions”, Appl. Phys. Lett. 123, 023505 (2023). 
- J. Ma, L. Xia, L. Ruan, J. Guan, L. Wang, X. Zhang, X. Gao, L.-Y. Gan*, X. Zhou*, “Sacrificial Agent Effect in Piezo-Electrocatalytic Hydrogen Evolution”, Appl. Phys. Lett. 122, 203902 (2023). 
- Y. Wang, K. Wang, J. Meng, C. Ban, Y. Duan, Y. Feng, S. Jing, J. Ma, D. Yu, J. Ding, L.-Y. Gan*, X. Zhou*, “Constructing Atomic Surface Concaves on Bi5O7Br Nanotube for Efficient Photocatalytic CO2 Reduction”, Nano Energy 109, 108305 (2023). 
- Y. Wang, C. Ban, J. Meng, J. Ma, H. Zou, Y. Feng, J. Ding, Y. Duan, L.-Y. Gan*, X. Zhou*, “Charge Localization Induced by Fe Doping in Porous Bi5O7I Micro-flower for Enhanced Photoreduction of CO2 to CO”, Sep. Purif. Technol. 312, 123379 (2023). 
- M. Duan, T. Shu, J. Li, D. Zhang, L.-Y. Gan*, K. X. Yao* and Q. Yuan*, “Boosting alkaline hydrogen evolution performance by constructing ultrasmall Ru clusters/Na+, K+-decorated porous carbon composites”, Nano Res. 16, 8836-8844 (2023). 
- J. Ding, S. Jing, C. Yin, C. Ban, K. Wang, X. Liu, Y. Duan, Y. Zhang, G. Han, L.-Y. Gan*, J. Rao*, “A new insight into the promoting effects of transition metal phosphides in methanol electrooxidation”, Chinese Chem. Lett. 34, 107899 (2023). 
- R. Chen, T. Shu, F. Zhao, Y. Li, X. Yang, J. Li, D. Zhang, L.-Y. Gan*, K. X. Yao* and Q. Yuan*,, “PtCu3 nanoalloy@porous PWOx composites with oxygen container function as efficient ORR electrocatalysts advance the power density of room-temperature hydrogen-air fuel cells”, Nano Res. 15, 9010 (2022). 
- X. Wang, J. Li, X. Yang, F. Zhao, Y. Li, D. Zhang, L.-Y. Gan*, K. X. Yao* and Q. Yuan*, “Low-coordinated surface sites make truncated Pd tetrahedrons as robust ORR electrocatalysts outperforming Pt for DMFC devices”, Nano Res. 15, 7951 (2022). 
- G. Qian, W. Chen, J. Chen, L.-Y. Gan*, T. Yu, M. Pan, X. Zhuo, S. Yin*, “Pyridinic-N doping carbon layers coupled with tensile strain of FeNi alloy for activating water and urea oxidation”, Green Energy Environ. 9, 684-694 (2024). 
- Y. Feng, Y. Wang, K. Wang, C. Ban, Y. Duan, J. Meng, X. Liu, J. Ma, J. Dai, D. Yu, C. Wang*, L.-Y. Gan*, X. Zhou*, “Constructing Cu1-Ti dual sites for highly efficient photocatalytic hydrogen evolution”, Nano Energy 103, 107853 (2022). 
- Y. Wang, J. Meng, S. Jing, K. Wang, C. Ban, Y. Feng, Y. Duan, J. Ma, L.-Y. Gan*, and X. Zhou*, “Origin of Bismuth-rich strategy in Bismuth oxyhalide photocatalysts”, Energy Environ. Mater. 6, e12432 (2023). 
- X. Liu, S. Jing, C. Ban, K. Wang, Y. Feng, C. Wang, J. Ding, B. Zhang, K. Zhou , L.-Y. Gan*, X. Zhou*, “Dynamic active sites in NiFe oxyhydroxide upon Au nanoparticles decoration for highly efficient electrochemical water oxidation”, Nano Energy 92, 107328 (2022).  
- C. Ban, Y. Duan, J. Ma, Y. Wang, J. Meng, Y. Feng, X. Liu, K. Wang, C. Wang, L.-Y. Gan*, X. Zhou*, “Isotype heterojunction-boosted CO2 photoreduction”, Nano-Micro Lett. 14, 74 (2022). 
- J. Meng, Y. Duan, S. Jing, J. Ma, K. Wang, K. Zhou, C. Ban, Y. Wang, B. Hu, D. Yu*, L.-Y. Gan*, X. Zhou*, “Facet junction of BiOBr nanosheets boosting spatial charge separation for CO2 photoreduction”, Nano Energy 92, 106671 (2022). 
- Z. Zeng., L.-Y. Gan, H. B. Yang*, X. Su, J. Gao, W. Liu, H. Matsumoto, J. Gong, J. Zhang, W. Cai, Z. Zhang, Y. Yan, B. Liu*, P. Chen*, “Orbital coupling of hetero-diatomic nickel-iron site for bifunctional electrocatalysis of CO2 reduction and oxygen evolution”, Nat. Commun. 12, 4088 (2021). 
- S. Tong, B. Fu, L.-Y. Gan* and Z. Zhang*, “Single atom catalysts for boosting electrocatalytic and photoelectrocatalytic performances”, J. Mater. Chem. A 9, 10731 (2021).  
- L. Li, L.-Y. Gan,* and Z. Zhang*, “Encapsulation Strategy on All Inorganic Perovskites for Stable and Efficient Photoelectrocatalytic Water Splitting”, Adv. Mater. Interfaces 8, 2100202 (2021).  
- H. Zou, X. Liu, K. Wang, Y. Duan, C. Wang, B. Zhang, K. Zhou, D. Yu, L.-Y. Gan* and X. Zhou*, “Constructing highly active Co sites in Prussian blue analogues for boosting electrocatalytic water oxidation”, Chem. Commun. 57, 8011 (2021). 
- D.-X. Zhang, H. Yin, H.-F. Zhong, L.-Y. Gan*, and P. Wang*, “Linear Scaling Relations for N2H4 Decomposition over Transition Metal Catalysts”, Int. J. Hydrogen. Energ. 45, 16114 (2020). 
- H. Yin, L.-Y. Gan*, and P. Wang*, “The Identification of Optimal Active Boron Sites for N2 Reduction”, J. Mater. Chem. A 8, 3910 (2020). 
- B. Fu, W. Wu, L.-Y. Gan*, and Z. Zhang*, “Bulk/Surface Defects Engineered TiO2 Nanotube Photonic Crystals Coupled with Plasmonic Gold Nanoparticles for Effective in Vivo Near-Infrared Light Photoelectrochemical Detection”, Anal. Chem. 91, 14611 (2019). 
- H.-F. Zhong, H. Yin, D.-X. Zhang, L.-Y. Gan*, and P. Wang*, “Intrinsically Synergistic Active Centers Coupled with Surface Metal Doping to Facilitate Alkaline Hydrogen Evolution Reaction”, J. Phys. Chem. C 123, 24220 (2019). 
- M. Zhuang, G. L. Xu#, L.-Y. Gan#, Y. Dou, C.-J. Sun, X. Ou,Y. Xie, Z. Liu, Y. Cai, Y. Ding, I. H. Abidi, A. Tyagi, K. Amine*, Z. Luo*, “Sub-5 nm Edge-Rich 1T-ReSe2 as Bifunctional Materials for Hydrogen Evolution and Sodium-Ion Storage”, Nano Energy 58, 660 (2019). 
- H. Yin, S-L. Li, L.-Y. Gan*, and P. Wang*, “Pt-Embedded in Monolayer g-C3N4 as a Promising Single-Atom Electrocatalyst for Ammonia Synthesis”, J. Mater. Chem. A 7, 11908 (2019). 
- Y.-T. Du, X. Kan*, F. Yang, L.-Y. Gan*, U. Schwingenschlögl, “MXene/Graphene Heterostructures as High-Performance Electrodes for Li-Ion Batteries”, ACS Appl. Mater. Interfaces 10, 32867 (2018).  
- Z.-J. Chen, G.-X. Cao, L.-Y. Gan*, H. Dai, N. Xu, M.-J. Zang, H.-B. Dai, H. Wu, and P. Wang*, “Highly Dispersed Platinum on Honeycomb-Like NiO@Ni Film as a Synergistic Electrocatalyst for Hydrogen Evolution Reaction”, ACS Catal. 8, 8866 (2018).  
- Y. Ding, I. H. Abidi, R. Wu, M. Zhuang, L.-Y. Gan*, and Z. Luo*, “Stacking-Modes-Induced Chemical Reactivity Differences on CVD Trilayer Graphene”, ACS Appl. Mater. Interfaces 10, 23424 (2018).  
- M. Zang, N. Xu, G. Cao, Z. Chen, J. Cui, L.-Y. Gan*, H. Dai, X. Yang, and P. Wang*, “Cobalt Molybdenum Oxide Derived High-Performance Electrocatalyst for the Hydrogen Evolution Reaction”, ACS Catal. 8, 5062 (2018). 
- H. Yin, Y.-P. Qiu, H. Dai, L.-Y. Gan*, H.-B. Dai, and P. Wang*, “Understanding of Selective H2 Generation from Hydrazine Decomposition on Ni(111) Surface”, J. Phys. Chem. C 122, 5443 (2018). 
- M. Zhuang, L.-Y. Gan*, M. Zou, Y. Dou, X. Ou, Z. Liu, Y. Ding, I. H. Abidi, A. Tyagi, M. Jalali, J. You, A. Cao, and Z. Lu*, “Engineered Sub-100 nm Mo(1-x)WxSe2 Crystals for Efficient Hydrogen Evolution Catalysis”, J. Mater. Chem. A 6, 2900 (2018). 
- J.-H. Liu, X. Kan*, B. Amin*, L.-Y. Gan*, and Yong Zhao, “Theoretical Exploring Potential Applications of Sc-Based MXenes”, Phys. Chem. Chem. Phys. 19, 32253 (2017) Selected in 2017 HOT articles. 
- S.-L. Li, H. Yin, X. Kan*, L.-Y. Gan*, U. Schwingenschlögl* and Yong Zhao, “Potential of Transition Metal Atoms Embedded in Buckled Monolayer g-C3N4 as Single-Atom Catalysts”, Phys. Chem. Chem. Phys. 19, 30069 (2017).  
- Y. Xin, X. Kan, L.-Y. Gan*, and Z. Zhang*, “Heterogeneous Bimetallic Phosphide/Sulfide Nanocomposite for Efficient Solar-Energy-Driven Overall Water Splitting”, ACS Nano 11,10303 (2017).  
- L.-Y. Gan*, Y. Cheng*, U. Schwingenschlögl*, Y. Yao, Y. Zhao, X. Zhang, and W. Huang, “Edge Structures and Properties of Triangular Antidots in Single-Layer MoS2”, Appl. Phys. Lett., 109, 091603 (2016). 
- L.-Y. Gan, Q. Zhang, C.-S. Guo*, U. Schwingenschlögl*, and Y. Zhao, “Two-Dimensional MnO2/Graphene Interfaces: Half-Metallicity and Quantum Anomalous Hall State”, J. Phys. Chem. C 120, 2119 (2016). 
- A. Nie, L.-Y. Gan#, Y. Cheng, X. Tao, Y. Yuan, S. Sharifi-Asl, K. He, H. Asayesh-Ardakani, V. Vasiraju, J. Lu, F. Mashayek, R. Klie, S. Vaddiraju, U. Schwingenschlögl, R. Shahbazian-Yassar*, “Ultrafast and Highly Reversible Sodium Storage in Zinc-Antimony Intermetallic Nanomaterials”, Adv. Funct. Mater. 26, 543, (2016). 
- L.-Y. Gan, S. O. Akandea and U. Schwingenschlögl*, “Anisotropic O Vacancy Formation and Diffusion in LaMnO3”, J. Mater. Chem. A 2, 19733 (2014). 
- L.-Y. Gan, Q. Zhang, Y.-J. Zhao, Y. Cheng, and U. Schwingenschlögl*, “Atomic Distribution in the Two-Dimensional Semiconducting Transition Metal Dichalcogenide Alloys Mo1-xWxX2 (X = S, Se, and Te)”, Sci. Rep. 4, 6691 (2014). 
- L.-Y. Gan, Q. Zhang, Y. Cheng, and U. Schwingenschlögl*, “Photovoltaic Heterojunctions of Fullerenes with MoS2 and WS2 Monolayers”, J. Phys. Chem. Lett. 5, 1445 (2014). 
- L.-Y. Gan and U. Schwingenschlögl*, “Two-Dimensional Square Ternary Cu2MX4 (M = Mo, W; X = S, Se) Monolayers and Nanoribbons”, Phys. Rev. B 89, 125423 (2014). 
- L.-Y. Gan, Q. Zhang, Y. Cheng, and U. Schwingenschlögl*, “Two-Dimensional Ferromagnet/Semiconductor Transition Metal Dichalcogenide Contacts: p-type Schottky Barrier and Spin-Injection Control”, Phys. Rev. B 88, 5310 (2013). 
- L.-Y. Gan, Y.-J. Zhao, D. Huang, and U. Schwingenschlögl*, “First-Principles Analysis of MoS2/Ti2C and MoS2/Ti2CY2 (Y=F and OH) All-2D Semiconductor/Metal Contacts”, Phys. Rev. B 87, 245307 (2013). 
- L.-Y. Gan, D. Huang, and U. Schwingenschlögl*, “Oxygen Adsorption and Dissociation during the Oxidation of Monolayer Ti2C”, J. Mater. Chem. A 1, 13672 (2013). 
- L.-Y. Gan and Y.-J. Zhao*, “Inverse NiO1-x/Cu Catalyst with High Activity towards Water-Gas Shift”, J. Phys. Chem. C 116, 16089 (2012). 
- L.-Y. Gan, R.-Y. Tian, X.-B. Yang, and Y.-J. Zhao*, “Surface Structures and Phase Transition of K Adsorption on Au(111) by Ab Initio Atomistic Thermodynamics”, J. Chem. Phys. 136, 044510 (2012). 
- L.-Y. Gan, R.-Y. Tian, X.-B. Yang, and Y.-J. Zhao*, “Catalytic Reactivity of CuNi Alloys towards H2O and CO Dissociation for an Efficient Water Gas Shift: A DFT Study”, J. Phys. Chem. C 116, 745 (2012). 
- L.-Y. Gan, R.-Y. Tian, X.-B. Yang, and Y.-J. Zhao*, “Interaction between NO and Na, O, S, Cl on Au and Pd(111) Surfaces”, Phys. Chem. Chem. Phys. 13, 14466 (2011). 
- L.-Y. Gan, and Y.-J. Zhao*, “Charge Effect in S Enhanced CO Adsorption: A Theoretical Study of CO on Au, Ag, Cu and Pd (111) Surfaces Co-adsorbed with S, O, Cl, and Na”, J. Chem. Phys. 133, 094703 (2010). 
- L.-Y. Gan, Y.-X. Zhang, and Y.-J. Zhao*, “A Comparison of S Poisoning Effects on CO Adsorption on Pd, Au, and Bimetallic PdAu(111) Surfaces”, J. Phys. Chem. C 114, 996 (2010).