[1]     Muhammad Arif*, Ayaz Mahsud, Amjad Ali, Shipeng Liao, Jiawei Xia, Hai Xiao, Mohammad Azam, Tahir Muhmood, Zhansheng Lu(路战胜)*, Yinjuan Chen*,  Unraveling the synergy of interface engineering α-MnO₂/Bi₂WO₆ heterostructures and defective active sites for superdurable photocatalysis: Mechanistic insights into charge separation/transfer.  Chemical Engineering Journal, 475 (2023), 146458

[2]     Shamraiz Hussain Talib, Zhansheng Lu(路战胜)*, Xiaohu Yu, Khalil Ahmad, Beenish Bashir, Zongxian Yang, Jun Li*,  Theoretical Inspection of M₁/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER).  ACS Catalysis, 11 (2021), 8929

[3]     Peng Lv, Wenjing Lv, Donghai Wu, Gang Tang, Xunwang Yan, Zhansheng Lu(路战胜)*, Dongwei Ma*,  Ultrahigh-density double-atom catalyst with spin moment as an activity descriptor for the oxygen-reduction reaction.  Physical Review Applied, 19 (2023), 054094

[4]     Yudong Pang, Zhansheng Lu(路战胜)*, Shamraiz Hussain Talib, Xinyuan Li, Mingyang Wang, Xilin Zhang, Zongxian Yang*, Ruqian Wu*,  Mechanism of Efficient Adsorption of Na Atoms on Electron-Deficient Doped MoS₂ for Battery Electrodes.  Physical Review Applied, 18 (2022), 034061

[5]     Shamraiz Hussain Talib, Zhansheng Lu(路战胜)*, Beenish Bashir, Sajjad Hussain, Khalil Ahmad, Salah UdDin Khan, Sajjad Haider, Zongxian Yang, Kersti Hermansson, Jun Li*,  CO oxidation on MXene (Mo₂CS₂) supported single-atom catalyst: a termolecular Eley-Rideal mechanism.  Chinese Chemical Letters, 34 (2023), 107412

[6]     T. Cheng, Q. Ma, H. Gao, S. Meng, Z. Lu(路战胜)*, S. Wang, Z. Yi, X. Wu, G. Liu, X. Wang, H. Yang*,  Enhanced photocatalytic activity, mechanism and potential application of Idoped-Bi₄Ti₃O₁₂ photocatalysts.  Materials Today Chemistry, 23 (2022), 100750

[7]     Haiyan Wang, Haowen Du, Hucheng Zhang*, Songjie Meng, Zhansheng Lu(路战胜)*, Hao Jiang, Chunzhong Li, Jianji Wang*,  Regulated adsorption-diffusion and enhanced charge transfer in expanded graphite cohered with N, B bridge-doping carbon patches to boost K-ion storage.  Journal of Energy Chemistry, 76 (2023), 67

[8]     Yang Liu, Dandan He, Yingjie Cheng, Lin Li, Zhansheng Lu(路战胜)*, Rui Liang, Yangyang Fan, Yun Qiao*, Shulei Chou*,  A Heterostructure Coupling of Bioinspired, Adhesive Polydopamine, and Porous Prussian Blue Nanocubics as Cathode for High-Performance Sodium-Ion Battery.  Small, 16 (2020), 1906946

[9]     Yun Qiao*, Jiawei Wu, Xiaoguang Cheng, Yudong Pang, Zhansheng Lu(路战胜)*, Xiangdong Lou, Qingling Li, Jin Zhao, Shuting Yang, Yang Liu*,  Construction of robust coupling interface between MoS₂ and nitrogen doped graphene for high performance sodium ion batteries.  Journal of Energy Chemistry, 48 (2020), 435

[10]    Guoliang Xu, Ran Wang, Yingchun Ding, Zhansheng Lu(路战胜)*, Dongwei Ma, Zongxian Yang,  First-Principles Study on the Single Ir Atom Embedded Graphdiyne: An Efficient Catalyst for CO Oxidation.  The Journal of Physical Chemistry C, 122 (2018), 23481(封底论文)

[11]    Xiao Dong*, Yuan Li, Yongyong Wang, Yipeng An, Zhansheng Lu(路战胜)*, Tianxing Wang*,  Stress-induced insulator-to-metal transition in silicon-based intermediate band material.  Solar Energy, 249 (2023), 661

[12]    Huiran Zhou*, Huigen Fu, Bingxin Li, Xinyu Yan, Yang Su, Xiaoli Pan, Qinghu Tang, Xiaobing Wang, Xiaohua Zhao, Yang Liu, Zongxian Yang, Zhansheng(路战胜) Lu*, Xiangdong Lou*, Lin Li*,  Homogeneous Ni Single-Atom Sites in the NiZn Intermetallic Nanostructure for Efficient Semihydrogenation of Acetylene.  ACS Sustainable Chemistry & Engineering, 11 (2023), 11052

[13]   Mingyang Wang, Jianjun Mao, Yudong Pang, Xilin Zhang, Haiyan Wang, Zongxian Yang*, Zhansheng Lu(路战胜)*, Shuting Yang*,  Theoretical identification of the superior anchoring effect and electrochemical performance of Ti₂CS₂ by single atom Zn doping for lithium–sulfur batteries.  Physical Chemistry Chemical Physics, 25 (2023), 19795

[14]    Shanshan Li, Fangfang Chang, Yang Yuan, Kai Zhu, Wanting Chen, Qing Zhang, Zhansheng Lu(路战胜)*, Zhengyu Bai*, Lin Yang*,  Co-Fe₃C pair sites catalyst with heterometallic dual active sites for efficient oxygen reduction reaction.  Journal of Colloid and Interface Science, 651 (2023), 734

[15]    Sajjad Hussain, Shamraiz Hussain* Talib, Shafqat Rasool Shahzad, Shabbir Muhammad, Sharmarke Mohamed, Ahsanulhaq Qurashi, Haiyan* Wang, Zhansheng Lu(路战胜)*,  Heterogeneous Co₁/P1Mo12O40 single-atom catalyst for CO oxidation via termolecular Eley-Rideal (TER) mechanism.  Molecular Catalysis, 550 (2023), 113539

[16]    Ayaz Mahsud, Muhammad Arif, Wasim Ullah Khan, Tianhao Zhang, Sajjad Hussain, Mohammad Azam, Zhansheng Lu(路战胜)*,  Theoretical investigation of d-orbitals involvement in catalytic activity by incorporation of bimetallic on adjacent position.  Molecular Catalysis, 550 (2023), 113526

[17]    Zhansheng(路战胜)* Lu, Songjie Meng, Ziyao Ma, Meixin Yang, Dongwei Ma, Zongxian Yang, Shamraiz Hussain* Talib,  Electronic and catalytic properties of Ti single atoms@SnO₂ and its implications on sensing mechanism for CO.  Applied Surface Science, 594 (2022), 153500

[18]    Zhansheng Lu(路战胜), Yingjie Cheng, Dongwei Ma*, Huijun Liang, Xiaobing Wang, Lin Yang, Zongxian Yang*,  Substitution of Fe in hydroxyapatite as an efficient single-atom catalyst for oxygen reduction reaction in biofuel cells: A first-principles study.  Applied Surface Science, 539 (2021), 148233

[19]    Guoliang Xu, Fuxia Liu, Zhansheng Lu(路战胜)*, Shamraiz Hussain Talib, Dongwei Ma, Zongxian Yang,  Design of promising single Rh atom catalyst for CO oxidation based on Graphdiyne sheets.  Physica E: Low-dimensional Systems and Nanostructures, 130 (2021), 114676

[20]    Zhansheng Lu(路战胜), Yingjie Cheng, Shuo Li, Zongxian Yang*, Ruqian Wu*,  CO₂ thermoreduction to methanol on the MoS₂ supported single Co atom catalyst: A DFT study.  Applied Surface Science, 528 (2020), 147047

[21]    Yun Qiao, Ruimin Han, Yudong Pang, Zhansheng Lu(路战胜)*, Jin Zhao, Xiaoguang Cheng, Huishuang Zhang, Zongxian Yang, Shuting Yang*, Yang Liu*,  3D well-ordered porous phosphorus doped carbon as an anode for sodium storage: structure design, experimental and computational insights.  Journal of Materials Chemistry A, 7 (2019), 11400

[22]    Zhansheng Lu(路战胜), Yudong Pang, Shuo Li, Yile Wang, Zongxian Yang*, Dongwei Ma, Ruqian Wu*,  Phosphorene: A promising metal free cathode material for proton exchange membrane fuel cell.  Applied Surface Science, 479 (2019), 590

[23]    Zhansheng Lu(路战胜), Peng Lv, Dongwei Ma*, Xinwei Yang, Shuo Li, Zongxian Yang*,  Detection of gas molecules on single Mn adatom adsorbed graphyne: a DFT-D study.  Journal of Physics D: Applied Physics, 51 (2018), 065109

[24]    Guoliang Xu, Ran Wang, Feng Yang, Dongwei Ma, Zongxian Yang, Zhansheng Lu(路战胜)*,  CO oxidation on single Pd atom embedded defect-graphene via a new termolecular Eley-Rideal mechanism.  Carbon, 118 (2017), 35

[25]    Zhansheng Lu(路战胜), Meixin Yang, Dongwei Ma*, Peng Lv, Shuo Li, Zongxian Yang*,  CO oxidation on Mn-N₄ porphyrin-like carbon nanotube: A DFT-D study.  Applied Surface Science, 426 (2017), 1232

[26]    Zhansheng Lu(路战胜), Peng Lv, Zongxian Yang*, Shuo Li, Dongwei Ma, Ruqian Wu*,  A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheet.  Physical Chemistry Chemical Physics, 19 (2017), 16795

[27]    Shuo Li, Zhansheng Lu(路战胜)*, Yi Zhang, Dongwei Ma, Zongxian Yang,  Mechanisms of direct hydrogen peroxide synthesis on silicon and phosphorus dual-doped graphene: a DFT-D study.  Physical Chemistry Chemical Physics, 19 (2017), 9007

[28]    Yun Qiao, Mengyue Ma, Yang Liu*, Zhansheng Lu(路战胜)*, Shuo Li, Hongyun yue, Hongyu Dong, Zhaoxia Cao, Yanhong Yin, Shuting Yang*,  First-principles and experimental study of nitrogen/sulfur co-doped carbon nanosheets as anodes for rechargeable sodium ion batteries.  Journal of Materials Chemistry A, 4 (2016), 15565

[29]    Dongwei Ma, Zhi Wang, Haitao Cui, Jun Zeng, Chaozheng He*, Zhansheng Lu(路战胜)*,  First-principles study of O₂ adsorption on Al-doped ZnO surface.  Sensors and Actuators B: Chemical, 224 (2016), 372

[30]    Zhansheng Lu(路战胜), Peng Lv, Yanli Liang, Dongwei Ma*, Yi Zhang, Wenjin Zhang, Xinwei Yang, Zongxian Yang*,  CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study.  Physical Chemistry Chemical Physics, 18 (2016), 21865

[31]    Zhansheng Lu(路战胜), Shuo Li, Dongwei Ma*, Yi Zhang, Xinwei Yang, Chaozheng He, Xiaobing Wang, Zongxian Yang*,  The mechanism of oxygen activation on single Pt-atom doped SnO₂(110) surface.  Journal of Materials Science, 51 (2016), 10400

[32]    Zhansheng Lu(路战胜), Shuo Li, Peng Lv, Chaozheng He*, Dongwei Ma, Zongxian Yang*,  First principles study on the interfacial properties of NM/graphdiyne (NM = Pd, Pt, Rh and Ir): The implications for NM growing.  Applied Surface Science, 360, Part A (2016), 1

[33]    Xilin Zhang, Zhansheng Lu(路战胜)*, Guoliang Xu, Tianxing Wang, Dongwei Ma, Zongxian Yang*, Lin Yang,  Single Pt atom stabilized on nitrogen doped graphene: CO oxidation readily occurs via the tri-molecular Eley-Rideal mechanism.  Physical Chemistry Chemical Physics, 17 (2015), 20006

[34]    Xilin Zhang, Zhansheng Lu(路战胜)*, Dongwei Ma, Zongxian Yang*,  Adsorption and dissociation of ammonia on small iron clusters.  International Journal of Hydrogen Energy, 40 (2015), 346

[35]    Xilin Zhang, Zhansheng Lu(路战胜)*, Zhaoming Fu, Yanan Tang, Dongwei Ma, Zongxian Yang*,  The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study.  Journal of Power Sources, 276 (2015), 222

[36]    Guoliang Xu, Lin Zhang, Chaozheng He*, Dongwei Ma, Zhansheng Lu(路战胜)*,  Adsorption and oxidation of NO on various SnO₂(110) surfaces: A density functional theory study.  Sensors and Actuators B: Chemical, 221 (2015), 717

[37]    Zhansheng Lu(路战胜), Guoliang Xu, Chaozheng He*, Tianxing Wang, Lin Yang, Zongxian Yang*, Dongwei Ma,  Novel catalytic activity for oxygen reduction reaction on MnN₄ embedded graphene: A dispersion-corrected density functional theory study.  Carbon, 84 (2015), 500

[38]    Zhansheng Lu(路战胜), Zongxian Yang, Kersti Hermansson*, Christopher W. M. Castleton*,  Several different charge transfer and Ce³⁺ localization scenarios for Rh-CeO₂(111).  Journal of Materials Chemistry A, 2 (2014), 2333

[39]    Shasha Li, Zhansheng Lu(路战胜)*, Zongxian Yang*, Xingli Chu,  The sensing mechanism of Pt-doped SnO₂ surface toward CO: A first-principle study.  Sensors and Actuators B: Chemical, 202 (2014), 83

[40]    Zhansheng Lu(路战胜), Dongwei Ma, Lin Yang, Xiaobing Wang, Guoliang Xu, Zongxian Yang*,  Direct CO oxidation by lattice oxygen on the SnO₂(110) surface: a DFT study.  Physical Chemistry Chemical Physics, 16 (2014), 12488

[41]    Xilin Zhang, Zhansheng Lu(路战胜)*, Yanan Tang, Zhaoming Fu, Dongwei Ma, Zongxian Yang*,  A density function theory study on the NO reduction on nitrogen doped graphene.  Physical Chemistry Chemical Physics, 16 (2014), 20561

[42]    Shasha Li, Zhansheng Lu(路战胜), Zongxian Yang*, Xingli Chu, Yanxing Zhang, Dongwei Ma,  The sulfur tolerance mechanism of the Cu/CeO₂ system.  International Journal of Hydrogen Energy, 39 (2014), 1957