2022年

1. Xiaowei Guo^#, Erhong Song^#, Wei Zhao^#, Shumao Xu, Wenli Zhao, Yongjiu Lei, Yuqiang Fang, Jianjun Liu*, Fuqiang Huang*, Charge self-regulation in 1T'''-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity. Nat. Commun., 2022, 13, 5954.
2. Lei Zhu^#, Youwei Wang^#, Junchao Chen^#*, Wenlei Li, Tiantian Wang, Jie Wu, Songyi Han, Yuanhua Xia, Yongmin Wu, Mengqiang Wu, Fangwei Wang, Yi Zheng, Luming Peng, Jianjun Liu*, Liquan Chen, Weiping Tang*, Enhancing ionic conductivity in solid electrolyte by relocating diffusion ions to under-coordination sites. Sci. Adv., 2022, 8, eabj7698.
3. Tong Wu^#, Erhong Song^#, Shaoning Zhang, Mengjia Luo, Chendong Zhao, Wei Zhao*, Jianjun Liu*, Fuqiang Huang*. Engineering Metallic Heterostructure Based on Ni₃N and 2M-MoS₂ for Alkaline Water Electrolysis with Industry-Compatible Current Density and Stability Adv. Mater., 2022, 34, 2108505.
4. Nian Ran, Erhong Song, Youwei Wang, Yao Zhou* and  Jianjun Liu*. Dynamic coordination transformation of active sites in single-atom MoS₂ catalysts for boosted oxygen evolution catalysis. Energ. Environ. Sci., 2022, 15, 2071.
5. Qingyuan Bi^#, Erhong Song^#, Jiacheng Chen, Muhammad SohailRiazd, Minghui Zhu, Jianjun Liu*, Yi-Fan Han*, Fuqiang Huang*. Nano gold coupled black titania composites with enhanced surface plasma properties for efficient photocatalytic alkyne reduction. Appl. Catal. B-Environ., 2022, 309, 121222.
6. Wenshuo Shang, Qiang Li, Fuyi Jiang, Bingkun Huang, Jisheng Song, Shan Yun, Xuan Liu, Hideo Kimura, Jianjun Liu* and Litao Kang*. Boosting Zn||I₂ Battery’s Performance by Coating a Zeolite-Based Cation-Exchange Protecting Layer. Nano-Micro Lett., 2022, 14, 82.
7. Qiang Li, Yi Li, Youwei Wang, Xiaolin Zhao, Tiantian Wang, Jianjun Liu*. Achieving fast ionic conductivity and high electrochemical stability through polyhedral structure design. Energ Stor. Mater., 2022, 47, 70.
8. Xiaoxia Zhou^#, Erhong Song^#, Zhaoyu Kuang, Zhe Gao, Han Zhao, Jianjun Liu*, Shuhui Sun*, Chung-Yuan Mou, Hangrong Chen*. Tuning selectivity of electrochemical reduction reaction of CO₂ by atomically dispersed Pt into SnO₂ nanoparticles. Chem. Eng. J., 2022, 430, 133035.
9. Yang Gan, Yining Li, Haoxin Li, Wujie Qiu and Jianjun Liu*. Origin of multiple voltage plateaus in P2-type sodium layered oxides. Mater. Horiz., 2022, 9, 1460.
10. Hui Jiang^#, Yang Gan^#,   Jie Liu,   Xunlu Wang,   Ruguang Ma, Jianjun Liu* and Jiacheng Wang* Boosting the transport kinetics of free-standing SnS₂@Carbon nanofibers by electronic structure modulation for advanced lithium storage. J. Mater. Chem. A, 2022, 10, 9468.
11. Wujie Qiu, Youwei Wang*, Jianjun Liu*. Multiscale computations and artificial intelligent models of electrochemical performance in Li-ion battery materials. Wires. Comput. Mol. Sci., 2022, 12, e1592.
12. Jianmin Xue^#, Hongshi Ma^#, Erhong Song^#, Fei Han, Tian Li, Meng Zhang, Yufang Zhu, Jianjun Liu*, Chengtie Wu*. Bamboo-Based Biomaterials for Cell Transportation and Bone Integration. Adv. Healthc. Mater., 2022, 11, 2200287.
13. Shicong Zhang^#, Xiaolin Zhao^#, Yifan Zhang, Yaoyao Zhao, Tao Li, Jianjun Liu*, Fuqiang Huang*, Tianquan Lin* Insights on the proton mechanism in carbonyl-based organic electrode of neutral aqueous battery. J. Power Source, 2022, 550, 232110.
14. Ke Zhou^#, Yining Li^#,Yang Ha, Maojie Zhang, Walid Dachraoui, Haodong Liu, Chunyang Zhang, Xiangsi Liu, Fengchen Liu, Corsin Battaglia, Wanli Yang, Jianjun Liu*,Yong Yang*. A Nearly Zero-Strain Li-Rich Rock-Salt Oxide with Multielectron Redox Reactions as a Cathode for Li-Ion Batteries. Chem. Mater., 2022, 34, 9711.
15. Kunpeng Zhao^#, Chenxi Zhu^#, Wujie Qiu^#, Shiqi Yang, Hong Su, Pengfei Qiu, Ying He, Mengjia Guan, Tian-Ran Wei, Jie Ma, Jue Liu, Guanhaojie Zheng, Fangfang Xu*, XunShi*, JianHe*, Lidong Chen*. Novel meta-phase arising from large atomic size mismatch. Matter, 2022, 5, 605.

　　2021年  

1. Zengyao Wang^#, Jiyi Chen^#, Erhong Song^#, Ning Wang, Juncai Dong, Xiang Zhang, Pulickel M. Ajayan, Wei Yao, Chenfeng Wang, Jianjun Liu*, Jianfeng Shen*, Mingxin Ye*. Manipulation on active electronic states of metastable phase β-NiMoO₄ for large current density hydrogen evolution. Nat. Commun., 2021, 12, 5960. 
2. Zhongli Hu^#, Xiaolin Zhao^#, Zhenzhu Li, Sha Li, Pengfei Sun, Gulian Wang, Qiaobao Zhang, Jianjun Liu*, Li Zhang*. Secondary bonding channel design induces intercalation pseudocapacitance toward ultrahigh-capacity and high-rate organic electrodes. Adv. Mater., 2021, 33, 2104039. 
3. Wujie Qiu, Tiantian Wang, Youwei Wang, Xuejun Zhou, Chilin Li, Jianjun Liu*. Predicting Li-rich layered oxide compounds as high-conductivity and stable solid electrolytes. ACS Energy Lett., 2021, 6, 3793-3800. 
4. Chun Hu^#, Erhong Song^#, Maoyu Wang, Wei Chen, Fuqiang Huang, Zhenxing Feng*, Jianjun Liu*, Jiacheng Wang*. Partial-single-atom, partial-nanoparticle composites enhance water dissociation for hydrogen evolution. Adv. Sci., 2021, 8, 2001881. 
5. Mengnan Cui, Zhihui Zheng, Jiacheng Wang, Youwei Wang, Xiaolin Zhao, Ruguang Ma, Jianjun Liu*. Rational design of lithium-sulfur battery cathodes based on differential atom electronegativity. Energy Stor. Mater., 2021, 35, 577-585. 
6. Ke Zhou^#, Yining Li^#, Shiyao Zheng, Maojie Zhang, Chunyang Zhang, Corsin Battaglia, Haodong Liu, Kuan Wang, Pengfei Yan, Jianjun Liu*, Yong Yang*. Tailoring the redox-active transition metal content to enhance cycling stability in cation-disordered rock-salt oxides. Energy Stor. Mater., 2021, 43, 275-283. 
7. Zhuang Sun^#, Xiaohui Zhao^#, Wujie Qiu^#, Chushu Yang, Osamu Yamamoto, Nobuyuki Imanishi, Jianjun Liu*, Tao Zhang*. Partial disproportionation gallium-oxygen reaction boosts lithium-oxygen batteries. Energy Stor. Mater., 2021, 41, 475-484. 
8. Xiaolin Zhao, Zhongli Hu, Yining Li, Youwei Wang, Erhong Song, Li Zhang*, Jianjun Liu*. Assembling organic–inorganic building blocks for high-capacity electrode design. Mater. Horiz., 2021, 8, 1825-1834. 
9. Zhenguo Yao, Yifan Yu, Qingping Wu, Mengnan Cui, Xuejun Zhou, Jianjun Liu*, Chilin Li*. Maximizing magnesiation capacity of nanowire cluster oxides by conductive macromolecule pillaring and multication intercalation. Small, 2021, 17(30): 2102168. 
10. Erhong Song^#, Yifan Hu^#, Ruguang Ma*, Yining Li, Xiaolin Zhao, Jiacheng Wang, Jianjun Liu*. Optimized electron occupancy of solid-solution transition metals for suppressing the oxygen evolution of Li₂MnO₃. J. Mater. Chem. A, 2021, 9(14): 9337-9346. 
11. Haoxin Li, Xiaolin Zhao, Yining Li, Yang Gan, Wujie Qiu*, Jifen Wang*, Jianjun Liu*. Alkaline-earth metal substitution stabilizes the anionic redox of Li-rich oxides. J. Mater. Chem. A, 2021, 9(16): 10364-10373. 
12. Nian Ran, Bo Sun, Wujie Qiu, Erhong Song, Tingwei Chen*, Jianjun Liu*. Identifying metallic transition-metal dichalcogenides for hydrogen evolution through multilevel high-throughput calculations and machine learning. J. Phys. Chem. Lett., 2021, 12(8): 2102-2111. 
13. Tiantian Wang, Jun Mei, Jianjun Liu*, Ting Liao*. Maximizing ionic transport of Li_1+xAl_xTi_2-xP₃O₁₂ electrolytes for all-solid-state lithium-ion storage: A theoretical study. J. Mater. Sci. Technol., 2021, 73, 45-51. 
14. Tiantian Wang, Youwei Wang, Xiaolin Zhao, Erhong Song, Jianjun Liu*. Critical role of interfacial charge transfer in reducing charge potential of Li-O₂ battery. J. Phys. Chem. C, 2021, 125(23758-23763. 
15. Xiaojun Zhang*, Jiale Li, Wujie Qiu, Miaosen Yang, Jianjun Liu*   Electrochemical Activity of Positive Electrode Material of P2-Na_x[Mg_0.33Mn_0.67]O₂ Sodium Ion Battery. J. Inorg. Mater., 2021, 6, 623. 
16. Beibei Xiao, Lei Yang, Houyi Liu, Xiaobao Jiang, B. Aleksandr, Erhong Song*, Qing Jiang*. Designing fluorographene with FeN₄ and CoN₄ moieties for oxygen electrode reaction: a density functional theory study. Appl. Surf. Sci., 2021, 537, 147846. 
17. Junlong He, Erhong Song*, Lianjun Wang*, Wan Jiang. DFT Calculation of NO Adsorption on Cr Doped Graphene. J. Inorg. Mater., 2021, 36, 1047. 
18. Feiyun Chen, Chengcheng Cao, Qiu Zhong, Jianjun Liu, Liping Yang*, Zezhong Chen*. Ab initio molecular dynamics study on local structure and dynamic properties of liquid Ni₆₂Nb₃₈ alloy. Mater. Today Commun., 2021, 27, 102207. 
19. Keyi Chen, Wujie Qiu, Qingping Wu, Xuejun Zhou, Jianjun Liu, Chilin Li*. Tight bonding and high-efficiency utilization of S-S moieties to enable ultra-stable and high-capacity alkali-metal conversion batteries. J. Mater. Chem. A, 2021, 9(10): 6160-6171. 
20. Yihao Liu^#, Nian Ran^#, Riyue Ge, Jianjun Liu, Wenxian Li, Yingying Chen, Lingyan Feng*, Renchao Che*. Porous Mn-doped cobalt phosphide nanosheets as highly active electrocatalysts for oxygen evolution reaction. Chem. Eng. J., 2021, 425, 131642. 
21. Kunpeng Zhao, Espen Eikeland, Dongsheng He, Wujie Qiu, Zhicheng Jin, Qingfeng Song, Tian-ran Wei, Pengfei Qiu, Jianjun Liu, Jiaqing He, Bo Brummerstedt Iversen, Jian He*, Lidong Chen*, Xun Shi*. Thermoelectric materials with crystal-amorphicity duality induced by large atomic size mismatch. Joule, 2021, 5(5): 1183-1195. 
22. Jun Mei, Tiantian Wang, Dongchen Qi, Jianjun Liu, Ting Liao, Yusuke Yamauchi, Ziqi Sun*. Three-dimensional fast Na-ion transport in sodium titanate nanoarchitectures via engineering of oxygen vacancies and bismuth substitution. ACS Nano, 2021, 15(8): 13604-13615. 
23. Li Xie, Ruiheng Liu*, Chenxi Zhu, Zhonglin Bu, Wujie Qiu, Jianjun Liu, Fangfang Xu, Yanzhong Pei, Shengqiang Bai*, Lidong Chen. Enhanced thermoelectric performance in Ge_0.955-xSb_xTe/FeGe₂ composites enabled by hierarchical defects. Small, 2021, 2100915. 
24. Rongfang Feng, Xiaowei Chi, Qiliang Qiu, Jing Wu, Jiaqi Huang, Jianjun Liu, Yu Liu*. Cyclic ether–water hybrid electrolyte-guided dendrite-free lamellar zinc deposition by tuning the solvation structure for high-performance aqueous zinc-ion batteries. ACS Appl. Mater. Interfaces, 2021, 13(34): 40638-40647. 
25. Deliang Xu, Han Lin*, Wujie Qiu, Min Ge, Zhixing Chen, Chenyao Wu, Yanling You, Xiangyu Lu, Chenyang Wei, Jianjun Liu, Xiang Guo, Jianlin Shi*. Hydrogen-bonded silicene nanosheets of engineered bandgap and selective degradability for photodynamic therapy. Biomaterials, 2021, 278, 121172. 
26. Yusi Peng, Chenglong Lin, Li Long, Tanemura Masaki, Mao Tang, Lili Yang, Jianjun Liu, Zhengren Huang, Zhiyuan Li, Xiaoying Luo, John R. Lombardi, Yong Yang*. Charge-transfer resonance and electromagnetic enhancement synergistically enabling MXenes with excellent SERS sensitivity for SARS-CoV-2 S protein detection. Nano-Micro Lett., 2021, 13(1): 52. 
27. Lei Yang, Feixiang Chen, Ming Wu, Erhong Song, Beibei Xiao, Qing Jiang. Mo decoration on graphene edge for nitrogen fixation: a computational investigation. Appl. Surf. Sci., 2021, 568, 150867. 　  

2020年 

1. Yao Zhou^#, Jing Zhang^#, Erhong Song^#, Junhao Lin^#, Jiadong Zhou, Kazu Suenaga, Wu Zhou, Zheng Liu, Jianjun Liu*, Jun Lou*, Hong Jin Fan*, “Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures”. Nat. Commun. 2020, 11, 2253. 
2. Youwei Wang, Junkai Wang, Xiaolin Zhao, Wujie Qiu, Erhong Song, Wenqing Zhang*, Xiangfeng Liu*, Jianjun Liu*, “Reducing charge overpotential of Li-O₂ batteries through band-alignment cathode design”. Energy Environ. Sci. 2020, 13, 2540-2548. 
3. Zhenguo Yao,   Qingping Wu,   Keyi Chen,   Jianjun Liu*,   and  Chilin Li*, “Shallow-layer pillaring of a conductive polymer in monolithic grains to drive superior zinc storage via a cascading effect”. Energy Environ. Sci. 2020, 13, 3149-3163. 
4. Yao Zhou^#, Erhong Song^#, Wei Chen^#, Carlo U. Segre, Jiadong Zhou, Yung-Chang Lin, Chao Zhu, Ruguang Ma, Pan Liu, Shufen Chu, Tiju Thomas, Minghui Yang, Qian Liu, Kazu Suenaga Zheng Liu*, Jianjun Liu*, Jiacheng Wang*, “Dual-Metal Interbond as the Chemical Scissor for Single- Atom Dispersion” Adv. Mater., 2020, 19, 2003484. 
5. Xingjie Fu, Tiantian Wang, Wenzhong Shen, Miaoli Jiang, Youwei Wang, Qiushi Dai, Da Wang, Zhenping Qiu, Yelong Zhang, Kuirong Deng, Qingguang Zeng, Ning Zhao, Xiangxin Guo, Zheng Liu*, Jianjun Liu*, Zhangquan Peng*, “A High-Performance Carbonate-Free Lithium|Garnet Interface Enabled by a Trace Amount of Sodium”. Adv. Mater. 2020, 32, 2000575. 
6. Xiaolin Zhao, Mengnan Cui, Chao Ma, Wujie Qiu, Youwei Wang, Erhong Song, Kaixue Wang, Jianjun Liu*, “Cooperative Effect of Multiple Active Sites and Hierarchical Chemical Bonds in Metal–Organic Compounds for Improving Cathode Performance”. ACS Energy Lett. 2020, 5, 477-485. 
7. Yining Li, Xiaolin Zhao, Qisheng Bao, Mengnan Cui, Wujie Qiu*, Jianjun Liu*, “How inactive d⁰ transition metal controls anionic redox in disordered Li-rich oxyfluoride cathodes”. Energy Storage Mater. 2020, 32, 253-260.  
8. Yuchi Fan^#, Erhong Song^#, Tufail Mustafa, Ruicong Liu, Pengpeng Qiu, Weiwei Zhou*, Zhenxing Zhou, Akira Kawasaki, Keiichi Shirasu, Toshiyuki Hashida, Jianjun Liu*, Lianjun Wang, Wan Jiang and Wei Luo* “Liquid-phase assisted engineering of highly strong SiC composite reinforced by multi-walled carbon nanotubes”. Adv. Sci. 2020, 7, 2002225. 
9. Haoxin Li, Yining Li, Xiaolin Zhao, Youwei Wang, Kexian Huang, Wujie Qiu*, Jifen Wang* and Jianjun Liu* “Vacancy-induced anion and cation redox chemistry in cation-deficient F-doped anatase TiO₂”. J. Mater. Chem. A 2020, 8, 20393-20401. 
10. Xiaolin Zhao, Feng Gu, Youwei Wang, Zhangquan Peng, Jianjun Liu*, “Surface Electronegativity as an Activity Descriptor to Screen Oxygen Evolution Reaction Catalysts of Li-O₂ Battery”. ACS Appl. Mater. Interfaces 2020, 12, 27166-27175. 
11. Nian Ran, Wujie Qiu, Erhong Song, Youwei Wang, Xiaolin Zhao, Zheng Liu, Jianjun Liu*, “Bond Electronegativity as Hydrogen Evolution Reaction Catalyst Descriptor for Transition Metal (TM = Mo, W) Dichalcogenides”. Chem. Mater. 2020, 32, 1224-1234. 
12. Youwei Wang, Erhong Song, Yongwei Pei, Chong Li, and Jianjun Liu* “Theoretical Study of Fast Calculation of Damping Loss Factors for Rubber Polymers”. J. Phys. Chem. Lett. 2020, 11, 6025-6031. 
13. Jun Mei^#, Tiantian Wang^#, Hong Peng, Godwin A. Ayoko, Jianjun Liu, Ting Liao*, Ziqi Sun*, “First Exploration on Electrochemical Activation of Low‐Cost Albite Mineral for Boosting Lithium Storage Capability”. Adv. Sustain. Syst., 2020, 4, 2000057. 
14. Qifan Yang, Mengnan Cui, Jiulin Hu, Fulu Chu, Yongjian Zheng, Jianjun Liu, and Chilin Li*, Ultrathin Defective C-N Coating to Enable Nanostructured Li Plating for Li Metal Batteries. ACS Nano 2020, 14, 1866-1878. 
15. Li Xie, Yongjin Chen, Ruiheng Liu*, Erhong Song, Tong Xing, Tingting Deng, Qingfeng Song, Jianjun Liu, Renkui Zheng*, Xiang Gao*, Shengqiang Bai*, Lidong Chen, “Stacking faults modulation for scattering optimization in GeTe-based thermoelectric materials”. Nano Energy 2020, 68, 104347. 
16. Yusi Peng, Chenglong Lin, Mao Tang, Lili Yang, Yong Yang*, Jianjun Liu, Zhengren Huang, Zhiyuan Li, “Niobium pentoxide ultra-thin nanosheets: A photocatalytic degradation and recyclable surface-enhanced Raman scattering substrate”. Appl. Surf. Sci. 2020, 509, 145376. 
17. Chunlei Peng, NianRan, Gang Wan, Wanpeng Zhao, Zhaoyu Kuang, ZhengLu, Chengjun Sun, Jianjun Liu, Lianzhou Wang, Hangrong Chen*, “Engineering Active Fe Sites on Nickel-Iron Layered Double Hydroxide through Component Segregation for Oxygen Evolution Reaction”. ChemSusChem 2020, 13, 811-818. 
18. Mengnan Cui, Xiaolin Zhao, Tiantian Wang, Erhong Song*, “Predicting Transition‐Metal/Benzenehexathiol Systems as Effective Cathodes of Li‐S batteries with Conjugate Conductivity and Synergetic Discharge”. ChemistrySelect 2020, 5, 7783-7788. 
19. O.Bystrenkoa, J.Jiang, F.Dong, X.Li, J.Qiu, Jianjun Liu, J.Zhang*, “Kinetics of bonds at structural breakdown in boron carbide under intensive loads: A molecular dynamics study”. Comput. Mater. Sci. 2020, 180, 109711. 

2019年 

1. Tiantian Wang, Wujie Qiu, Qi Feng, Kui Huang, Xiaolin Zhao, Qisheng Bao, Youwei Wang, Guannan Zhu, Jianjun Liu*. "The critical role of oxygen-evolution kinetics in the electrochemical stability of oxide superionic conductors", J Mater. Chem. A, 2019, 7, 17008-17013.  
2. Wujie Qiu, Zuosheng Li, Keyi Chen, Chilin Li, Jianjun Liu*, Wenqing Zhang. "Stabilizing Low-Coordinated O ions to Operate Cationic and Anionic Redox Chemistry of Li-Ion Battery Materials", ACS Appl. Mater. Interfaces, 2019, 11, 37768-37778.  
3. Youwei Wang, Erhong Song, Wujie Qiu, Xiaolin Zhao, Yao Zhou, Jianjun Liu*, Wenqing Zhang*. "Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts", Prog. Nat. Sci., 2019, 29, 256-264.  
4. Han Lin, Wujie Qiu, Jianjun Liu, Luodan Yu, Shanshan Gao, Heliang Yao, Yu Chen, Jianlin Shi*. "Silicene: Wet-Chemical Exfoliation Synthesis and Biodegradable Tumor Nanomedicine", Adv. Mater., 2019, 31, 1903013.  
5. Lili Yang, Yusi Peng, Yong Yang*, Jianjun Liu, Haoliang Huang, Bohan Yu, Jimin Zhao, Yalin Lu, Zhengren Huang, Zhiyuan Li, John R. Lombardi. "A Novel Ultra-Sensitive Semiconductor SERS Substrate Boosted by the Coupled Resonance Effect", Adv. Sci., 2019, 6, 1900310.  
6. Li Xie, Yongjin Chen, Ruiheng Liu, Erhong Song, Tong Xing, Tingting Deng, Qingfeng Song, Jianjun Liu, Renkui Zheng, Xiang Gao, Shengqiang Bai*, Lidong Chen*. "Stacking faults modulation for scattering optimization in GeTe-based thermoelectric materials", Nano Energy, 2019, 68, 104347.  
7. Chun Fang, Zhao Ye, Yanjie Wang, Xiaolin Zhao, Ying Huang, Ruirui Zhao, Jianjun Liu, Jiantao Han*, Yunhui Huang*. "Immobilizing an organic electrode material through π–π interaction for high-performance Li-organic batteries", J Mater. Chem. A, 2019, 7, 22398-22404.  
8. Xiaojun Zhang, Fengan Han, Songzhu Lin, Fang Chen, Mojie Sun, Jianjun Liu, Guangyi Li, Hao Tang, Aiqin Wang, Yu Cong, Ning Li*. "Synthesis of Branched Octahydro-Indene with Methyl Benzaldehyde and Methyl Isobutyl Ketone", ACS Sustain. Chem. Eng., 2019, 7, 12023-12031.  
9. Kun Luan*, Jianjun Liu, Baozhong Sun, Wei Zhang, Jianbao Hu, Xiaomeng Fang, Chen Ming, Erhong Song. "High strain rate compressive response of the Cf/SiC composite", Ceram. Int., 2019, 45, 6812-6818.  
10. Junling Xue, Yongliang Guo, Changdong Liu, Xinjun Sun, Wujie Qiu, Shoutian Sun, Xuezhi Ke*. "Structural phase transitions and superconductivity of YC₂ from first-principles calculations", Comput. Mater. Sci., 2019, 159, 120-126. 

2018年 

1. Yaojun Liu, Xiaolin Zhao, Chun Fang*, Qing Liu, Ying Huang, Rui Zeng, Litao Kang, Jianjun Liu*, Yunhui Huang*. Activating Aromatic Rings as Na-Ion StorageSites to Achieve High Capacity [J]. Chem 2018, 4, 2463-2478. 
2. Chao Ma, Xiaolin Zhao, Litao Kang, Kai-xue Wang*, Jie-sheng Chen, Wenqing Zhang, Jianjun Liu*. "Non‐Conjugated Dicarboxylate Anode Materials for Electrochemical Cells", Angew Chem. Int. Ed., 2018, 57, 8865-8870.  
3. Yao Zhou, Erhong Song, Jiadong Zhou, Junhao Lin, Ruguang Ma, Youwei Wang, Wujie Qiu, Ruxiang Shen, Kazutomo Suenaga, Qian Liu, Jiacheng Wang*, Zheng Liu*, Jianjun Liu*. "Auto-optimizing Hydrogen Evolution Catalytic Activity of ReS2 through Intrinsic Charge Engineering", ACS Nano, 2018, 12, 4486.  
4. Chao Zhu, Suxia Liang, Erhong, Song, Yuanjun Zhou, Wen Wang, Feng shan, Yantao shi, Ce Hao, Kuibo Yin, Tong Zhang, Jianjun Liu, Haimei Zheng, Litao Sun. "In-situ liquid cell transmission electron microscopy investigation on oriented attachment of gold nanoparticles", Nat. Commun., 2018, 9, 421.  
5. Dunping Cao, Zhenguo Yao, Jianjun Liu, Jincang Zhang, Chilin Li. "H-Nb₂O₅ wired by tetragonal tungsten bronze related domains as high-rate anode for Li-ion batteries", Energy Storage Material. 2018, 11, 152-160. 
6. Xiaolin Zhao, Wujie Qiu, Chao Ma, Yingqin Zhao, Kaixue Wang, Wenqing Zhang, Litao Kang*, Jianjun Liu*. "Superposed Redox Chemistry of Fused Carbon Rings in Cyclooctatetraene-Based Organic Molecules for High-Voltage and High-Capacity Cathodes", ACS Appl. Mater. Interfaces, 2018, 10, 2496–2503.  
7. Youwei Wang, Wujie Qiu, Erhong Song, Feng Gu, Zhihui Zheng, Xiaolin Zhao, Yingqin Zhao, Jianjun Liu*, Wenqing Zhang*. "Adsorption-energy-based activity descriptors for electrocatalysts in energy storage applications", Natl. Sci. Rev., 2018, 5, 327–341. 

2017年 

1. Qingyuan, Bi, Xin Wang, Feng Gu, Xianlong, Du, Hongliang, Bao, Huoheng Yin, Jianjun Liu, Fuqiang Huang*. "Prominent Electron Penetration through Ultrathin Graphene Layer from FeNi Alloy for Efficient Reduction of CO₂ to CO", ChemSusChem, 2017 10, 3044-3048.  
2. Chao Ma, Xiaolin Zhao, Michelle M. Harris, Jianjun Liu*, Kai-Xue Wang*, Jie-Sheng Chen*. "Uric Acid as an Electrochemically Active Compound for Sodium-Ion Batteries: Stepwise Na+-Storage Mechanisms of pi-Conjugation and Stabilized Carbon Anion", ACS Appl. Mater. Interfaces, 2017, 9, 33934-33940.  
3. Min Wang, Xiangqian Fan, Lingxia Zhang, Jianjun Liu*, Beizhou Wang, Ruolin Cheng, Mengli Li, Jianjian Tian, Jianli Shi*. "Probing the role of O-containing groups in CO2 adsorption of N-doped porous activated carbon", Nanoscale, 2017, 9, 17593-17600.  
4. Yingbin Tan, Zhihui Zheng, Shiting Huang, Yongzhe Wang, Zhonghui Cui, Jianjun Liu*, Xiangxin Guo*. "Immobilization of sulfur by constructing three-dimensional nitrogen rich carbons for long life lithium–sulfur batteries", J. Mater. Chem. A, 2017, 5, 8360-8366.  
5. Lewei He, Youwei Wang, Fan Wang, Sanpei Zhang, Xiangwei Wu, Zhaoyin Wen*, Jianjun Liu*, Wenqing Zhang. "Influence of Cu²⁺ doping concentration on the catalytic activity of CuxCo3-xO4 for rechargeable Li–O₂ batteries", J. Mater. Chem. A, 2017, 5, 18569-18576. 
6. Ruguang Ma, Erhong Song, Yao Zhou, Zhenzhen Zhou, Guanghui Liu, Qian Liu*, Jianjun Liu*, Yufang Zhu, Jiacheng Wang*. "Ultrafine WC nanoparticles anchored on co-encased, N-doped carbon nanotubes for efficient hydrogen evolution", Energy storage Materials, 2017, 6, 104-111. 
7. Yufeng, Shan, Zhihui Zheng, Jianjun Liu, Yong Yang*, Zhiyuan Li, Zhengren Huang, Dongliang Jiang. "Niobium pentoxide: Apromising surface-enhanced raman scattering active semiconductor substrate", npj Computational Materials, 2017, 3, 11. 
8. Songmei Sun, Qi An, Wenzhong Wang*, Ling Zhang, Jianjun Liu*, William A. Goddard III, J. "Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots", J. Mater. Chem. A, 2017, 5, 201-209.  
9. Beizhou Wang, Ning Zhao, Youwei Wang, Wenqing Zhang, Wencong Lu, Xiangxin Guo*, Jianjun Liu*. "Electrolyte-controlled discharge product distribution of Na–O2 batteries: a combined computational and experimental study", Phys. Chem. Chem. Phys., 2017, 19, 2940-2949. 
10. Youwei Wang, Wenqing Zhang, Lidong, Chen, Siqi Shi, Jianjun Liu*. "Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations", Science &Technology of Advanced Materials, 2017, 18, 134-146.  

2016年 

1. Nan Shen, Bingrong Dong, Chuanxiang Cao, Zhang Chen, Jianjun Liu, Hongjie Luo, Yanfeng Gao. "Lowered phase transition temperature and excellent solar heat shielding properties of well-crystallized VO₂ by W doping", Phys. Chem. Chem. Phys. 2016, 18, 28010-28017. 
2. Youwei Wang, Yubo Zhang, Haiming Zhu, Jianjun Liu, Tianquan Lian, Wenqing Zhang. "Geometry strategy for engineering the recombination possibility of excitons in nanowires", Nanoscale, 2016, 8, 7318-7325.
3. Wugang Fan, Beizhou Wang, Xiangxin Guo, Xiangyang Kong, Jianjun Liu*, "Nanosize stabilized Li-deficient Li2-xO2 through cathode architecture for high performance Li-O2 batteries", Nano Energy, 2016, 27, 577-586. 
4. Youwei Wang, Beizhou Wang, Feng Gu, Zhihui Zheng, Jianjun Liu*. "Tuning Electrochemical Reactions in Li-O2 Batteries", Nano Adv., 2016, 1, 17-24. (IF=13.1) 
5. Ruguang Ma, Xiaodong Ren, Baoyu Xia, Yao Zhou, Chi Sun, Qiang Liu, Jianjun Liu*, Jiacheng Wang. "Novel synthesis of Ndoped graphene as an efficient electrocatalyst towards oxygen reduct", Nano Research, 2016, 9, 1-12.  
6. Fan Wang, Zhaoyin Wen, Chen Shen, Xiangwei Wu, Jianjun Liu. "Synthesis of α-MnO2 nanowires modified by Co3O4 nanoparticles as a high-performance catalyst for rechargeable Li–O2 batteries", Phys. Chem. Chem. Phys., 2016, 18, 926-931. 
7. Jinxin, Zhan, Hongxing, Dong, Shulin Sun, Xiaodong Ren, Yang Liu, Jianjun Liu, Zhanghai, Chen, Long Zhang. "Surface-energy driven Growth of ZnO Hexagonal Microtubes for Tunable Optical Resonators", Adv. Opt. Mater., 2016, 4, 126-134.  

2015年 

1. Jianjun Liu, "Advanced Materials for Renewable Hydrogen Production, Storage and Utilization", Edited by Jianjun Liu, ISBN 978-953-51-2219-7, 144 pages, Publisher: InTech, Chapters published November 25, 2015 DOI: 10.5772／59520.（著作编辑，章节作者） 
2. 王倍洲，王有伟，刘建军*，陆文聪，锂空气电池正极界面催化反应机理，中国材料进展2015，34, 933-937 
3. Shi, Chen, Jianjun Liu*, Hongjie Luo, Yanfeng Gao. “A Calculation Evidence for Staged Mott and Peierls Transitions in VO₂ Revealed by Mapping Reduced-Dimension Potential Energy Surface”, J. Phys. Chem. Lett., 2015，6，3650–3656.  
4. Jinzhen Zhu, Fan Wang, Beizhou Wang, Jianjun Liu*, Wenqing Zhang, Zhaoyin Wen. "Surface Acidity as Descriptor of Catalytic Activity for Oxygen Evolution Reaction in Li-O2 Battery", J. Am. Chem. Soc., 2015, 137, 13572-13581.  
5. ZuoSheng Li, Beizhou Wang, Chilin Li, Jianjun Liu* and Wenqing Zhang. "Hydrogen-Bonding-Mediated Structural Stability and Electrochemical Performance in Iron Fluoride Cathode Materials", J. Mater. Chem. A, 2015, 3, 16222-16228.  
6. Rui Gao, Jinzhen Zhu, Xiaoling Xiao, Zhongbo Hu, Jianjun Liu*, Xiangfeng Liu, "Facet-Dependent Electrocatalytic Performance of Co3O4 for Rechargeable Li–O2 Battery", J. Phys. Chem. C, 2015, 119, 4516–4523.  
7. Jinzhen Zhu, Xiaodong Ren, Jianjun Liu*, Wenqing Zhang, Zhaoyin Wen. "Unraveling Catalytic Mechanism of Co₃O₄ for Oxygen Evolution Reaction in Li-O2 Battery", ACS Catalysis, 2015, 5, 73-81.   
8. Xiaodong Ren, Beizhou Wang, Jinzhen Zhu, Jianjun Liu*, Wenqing Zhang, Zhaoyin Wen. "The doping effect on the catalytic activity of graphene for oxygen evolution reaction in a lithium–air battery: a first-principles study", Phys. Chem. Chem. Phys., 2015, 17, 14605-14612.  
9. Jin Wang, Jinzhen Zhu, Xiaoxia Zhou, Yanyan Du, Weimin Huang, Jianjun Liu*, Wenqing Zhang, Jianlin Shi, Hangrong Chen. Nanoflower-like weak crystallization manganese oxide for efficient removal of low-concentration NO at room temperature", J. Mater. Chem. A, 2015, 3, 7631-7638.  
10. Yajun Zhou, Lingxia Zhang, Jianjun Liu, Xiangqian Fan, Beizhou Wang, Min Wang, Wenchao Ren, Jin Wang, Mengli Li, Jianlin Shi. "Brand new P-doped g-C3N4: enhanced photocatalytic activity for H2 evolution and Rhodamine B degradation under visible light", J. Mater. Chem. A, 2015, 3, 3862-3867.   
11. Junjie Xie, Yan Liu, Jianjun Liu, Lei Lei, qianqian Gao, Jiaqing Li, Songwang Wang. "Study on the Correlations between the structure and photoelectric properties of CH3NH3PbI3 perovskite light-harvesting material", J. Power Source, 2015, 285, 349-353. 
12. Jinzhen Zhu, Beizhou Wang, Jianjun Liu*, Huanwen Chen. "Theoretical studies of a 3D-to-planar structural transition in SinAl5-n+1,0,-1 (n = 0–5) clusters", RSC Adv., 2015, 5, 13923-13929.  

2014年之前 

1. Shi Chen, Jianjun Liu*, Hongjie Luo, Yanfeng Gao, “Unravelling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study”, J. Phys. Chem. C, 2014, 118, 18938–18944. 
2.  Fuming Du, Xiaodong Ren, Jiong Yang, Jianjun Liu*, Wenqing Zhang, “Structures, Thermodynamics, and Li+ Mobility of Li10GeP2S12: A First-Principles Analysis”, J. Phys. Chem. C, 2014, 118, 10590–10595. 
3. Lei Dai, Shi Chen, Jianjun Liu, Yanfeng Gao, Jiadong Zhou, Zhang Chen, Chuanxiang Cao, Hongjie Luo and Minoru Kanehira “F-doped VO2 nanoparticles for thermochromic energy-saving foils with modified color and enhanced solar-heat shielding ability” Phys. Chem. Chem. Phys., 2013,15, 11723-11729. 
4. Shi Chen, Lei Dai, Jianjun Liu, Yanfeng Gao, Xinling Liu, Zhang Chen, Jiadong Zhou, Chuanxiang Cao, Penggang Han, Hongjie Luo and Minoru Kanahira, “The visible transmittance and solar modulation ability of VO2 flexible foils simultaneously improved by Ti doping: an optimization and first principle study”, Phys. Chem. Chem. Phys., 2013,15, 17537-17543. 
5. Jianjun Liu*, Wenqing Zhang, Bilayer silicene with an electrically-tunable wide band gap, RSC Advance, 2013, 3, 21943. 
6. Jianjun Liu, Lei Cheng, James Tryyel, Qingfeng Ge, “First-Principles Studies on Hydrogen Desorption Mechanism of MgnH2n (n = 3, 4)”, J. Phys. Chem. C, 2013, 117, 8099–8104. 
7. Jianjun Liu, and Wenqing Zhang, “Improvement of Hydrogen Storage Properties in Metal Hydrides Materials”, in “Hydrogen Storage”, (eds, Jianjun Liu) page 29-48. (INTECH d. o. o., 2012), ISBN, 978-953-51-0731-6. 
8. X. D. Ren, J. Liu*, W. Q. Zhang, Strain Effect on the Electrochemical Properties of Li2MnO3 Cathode Material: A First Principles Calculation, Key Engineering Materials, 2012, 519, 147-151. 
9. 任晓栋，刘建军*，张文清，应变对层状锰系锂离子电池正极材料输出电压的影响, 物理学报  2012, 61, 183101-183109 
10. Jianjun Liu, James Tyrrell, and Qingfeng Ge, “Computational design nanostructure for hydrogen storage” in “Energy Efficiency and Renewable energy through Nanotechnology”, (eds, Ling Zang), (Springer-Verlag London Limited, 2011).  
11. Jianjun Liu, Qingfeng Ge, “Using First-principles Metadynamics Simulation to Probe Phase Transition of NaAlH4”, J. Phys. Condens. Matt. 2011, 23 345401.  
12. Jianjun Liu, Jiamei Yu, Qingfeng Ge, “Hydride-Assisted Hydrogenation of Ti-Doped NaH/Al: A Density-Functional Theory Study”, J. Phys. Chem. C, 2011, 115, 2522–2528.  
13. Jianjun Liu, Jiamei Yu, Qingfeng Ge, “Transition Metal-Doped Aluminum Hydrides as Building Blocks for Supramolecular Assemblies”, J. Phys. Chem. A. 2010, 114, 12318-12322. 
14. D. Stone, Jianjun Liu, D. P. Singh, C. Muratore, A. A. Voevodin, S. Mishra, C. Rebholz, Q. Ge., S. M. Aouadi, “Layered atomic structures of double oxides for low shear strength at high temperatures”, Scripta Materialia, 2010, 62, 735-738. 
15. Jianjun Liu, Qingfeng, Ge, “Hydrogen interaction in Ti-doped LiBH4 for hydrogen storage: A density functional analysis”, Journal of Chemical Theory and Computation, 2009, 5, 3079–3087.  
16. Jianjun Liu, You Han, and Qingfeng Ge, “Effect of Doped Transition Metal on Reversible Hydrogen Release/Uptake from NaAlH4”, Chemistry – A European Journal, 2008, 15, 1685-1695.  
17. Jianjun Liu, Jeremiah Aeschleman, Lisa Rajan, Catherine Che, and Qingfeng Ge, “A comparative study of dehydrogenation energetic of B2H6, Al2H6, and Ga2H6 based on Density function theory” in “Materials Issues in a Hydrogen economy” (eds. Jena, P. Kandalam, A. and Sun, Q.), (World Science, Richmond, VA, 2007), 234-243. ISBN, 9789812838018; 9812838015.  
18. Jianjun Liu, and Qingfeng Ge, “First-principles Study of Sc-catalyzed Complex Hydride NaAlH4 for Reverse Hydrogen Storage”, Journal of Alloy and Compounds. 2007, 446-447, 267-270.  
19.  Jianjun Liu, and Qingfeng Ge, “A First-Principles Analysis of Hydrogen Interaction in Ti-Doped NaAlH4 Surfaces: Structure and Energetics”, Journal of Physical Chemistry B, 2006, 110, 25863 -25868.  
20. Jianjun Liu, and Qingfeng Ge, “A Precursor State for Formation of TiAl3 Complex in Reversible Hydrogen Desorption/Adsorption from Ti-doped NaAlH4”, Chemical Communication, 2006, 1822-1824.  
21.  Jianjun Liu, and Keiji Morokuma, “Ab Initio Potential Energy Surfaces of O2(X , a1Dg,b ) + O2(X , a1Dg, b ): Mechanism of Quenching of O2 (a1Dg)”, Journal of Chemical Physics, 2005, 123, 204319. 
22. Jianjun Liu, Peng Zhang, Keiji Morokuma, and Ramesh Sharma “A New Reaction Mechanism for Dissociation of Excited Oxygen Molecule and Formation of Highly Vibrationally Excited OH in Mesosphere, An Ab Initio Study”, Journal of Chemical Physics, 2005, 122, 104315.  
23. 程红，封继康，任爱民，刘建军, C74的结构、电子光谱及三阶非线性光学性质的理论研究, 化学学报, 2003, 61, 541-546. 
24. 程红，封继康，任爱民，刘建军, 张刚,孙家钟 Ca@C74的结构、电子光谱及二阶非线性光学性质的理论研究, 高等化学学报, 2003, 24, 876-879. 
25. Jian-Jun Liu, Yi-Hong Ding, Yu-Guo Tao, Ji-Kang Feng, and Chia-Chung Sun “Theoretical Study on the Mechanism of the 1CHCl + N2O Reaction”, Journal of Physical Chemistry A, 2002, 106, 8156-8166. 
26. Jian-Jun Liu, Yi-Hong Ding,Yu-Guo Tao, Ji-Kang Feng, and Chia-Chung Sun, “Theoretical Study on the Mechanism of 3CH2 + NO2 Reaction”, Journal of Computational Chemistry, 2002, 23, 1031-1044. 
27. Jian-Jun Liu, Yi-Hong Ding, Yu-Guo Tao, Ji-Kang Feng, and Chia-Chung Sun “Theoretical Study on the Mechanism of 1CHCl + NO”, Journal of Computational Chemistry, 2002, 23, 625-649. 
28. Jian-Jun Liu, Yi-hong Ding; Ji-Kang Feng; and Chia-chung Sun, “Theoretical Study on the Mechanism of 1CHF + N2O Reaction”, Journal of Physical Chemistry A, 2002, 106, 2695-2706. 
29. Jian-Jun Liu, Yi-hong Ding, Ji-Kang Feng, Yu-Guo Tao, and Chia-Chung Sun, “Theoretical Study on Mechanism of 3CH2 + N2O Reaction”, Journal of Physical Chemistry A, 2002, 106, 1746-1764. 
30.  Xiu-bin Zhang, Jian-Jun Liu, Ze-sheng Li, Jing-yao Liu, and Chia-chung Sun, “Theoretical Mechanistic Study on the Ion-Molecule Reactions of the CH+CH3OH Reaction”, Journal of Physical Chemistry A, 2002, 106, 3814-3818.  
31.  Yu-Guo Tao, Yi-Hong Ding, Jian-Jun Liu, Ze-Sheng Li, Xu-Ri Huang; and Chia-Chung Sun, “Theoretical Mechanistic Study on the Ion-Molecule Reactions of CCN+/CNC+ with H2S”, Journal of Physical Chemistry A, 2002, 106, 2949-2962.  
32. Yu-Guo Tao. Yi-Hong Ding. Jian-Jun Liu. Ze-Sheng Li. Xu-Ri Huang. and Chia-Chung Sun, “Theoretical Mechanistic Study on the Ion-molecule Reactions of CCN+/CNC+ with H2O and HCO+/HOC+ with HCN/HNC”, Journal of Chemical Physics, 2002, 116, 1892-1910.  
33. 程红，封继康，任爱民，刘建军, C74的结构、电子光谱及三阶非线性光学性质的理论研究, 化学学报, 2002, 60, 830-834.  
34.  Jian-Jun Liu, Yi-hong Ding, Ji-Kang Feng, and Chia-chung Sun, “Theoretical Study on the Mechanism of the 1CHF + NO Reaction”, Journal of Physical Chemistry A, 2001, 105, 9901-9911. 
35. Jian-Jun Liu, Ji-Kang Feng, Yi-hong Ding, Ai-min Ren, Su-fan Wang, Chia-Chung Sun, and Fan-Ao Kong “Theoretical Study on the Potential Energy Surface of the 1CH2+N2O Reaction”, Journal of Physical Chemistry A, 2001, 105, 5885-5895.  
36. 刘建军, 封继康, 付伟, 任爱民,刘桂霞 CH2自由基与O2反应机理的研究, 物理化学学报, 2001, 17, 586-593. 
37. Yu-Guo Tao, Yi-Hong Ding, Jian-Jun Liu, Ze-Sheng Li, Xu-Ri Huang, and Chia-Chung Sun, “Theoretical Study on Reaction Mechanism of the CF radical with Nitrogen Dioxide”, Journal of Computational Chemistry, 2001, 22, 1907-1919.  
38. 王素凡, 封继康, 刘建军, 孙家钟, 刘鹏, 高振, 孔繁敖, 硅硫团簇[(SiS2)nS]+ (n=1～4)的结构及振动光谱的量子化学研究, 化学学报, 2000, 58, 1067-1073.  
39. 王素凡, 封继康, 刘建军, 孙家钟, 刘鹏, 高振, 孔繁敖, 硅硫团簇(SiS2)n- (n = 1-5)的结构及振动光谱的量子化学研究,”, 高等学校化学学报, 2000, 21, 1273-1277.