理论与计算化学

材料模拟与设计

2009-09--2014-06   南京大学   理学博士
2005-09--2009-06   南京大学   理学学士

   

[1] Su, Jianwei, Pan, Dianhui, Dong, Yan, Zhang, Yangyuan, Tang, Yulong, Sun, Jian, Zhang, Linjuan, Tian, Ziqi, Chen, Liang. Ultrafine Fe2C Iron Carbide Nanoclusters Trapped in Topological Carbon Defects for Efficient Electroreduction of Carbon Dioxide. ADVANCED ENERGY MATERIALS[J]. 2023, 第 8 作者13(20): http://dx.doi.org/10.1002/aenm.202204391.
[2] Li, Lei, Liu, Wenxiu, Shi, Tian, Shang, Shu, Zhang, Xiaodong, Wang, Hui, Tian, Ziqi, Chen, Liang, Xie, Yi. Photoexcited Single-Electron Transfer for Efficient Green Synthesis of Cyclic Carbonate from CO2. ACS MATERIALS LETTERS[J]. 2023, 第 7 作者  通讯作者  5(4): 1219-1226, http://dx.doi.org/10.1021/acsmaterialslett.3c00069.
[3] Zhao Xiaolei, Xiang Pan, Wu Jinghua, Liu Ziqiang, Shen Lin, Liu Gaozhan, Tian Ziqi, Chen Liang, 姚霞银. Toluene tolerated Li9.88GeP1.96Sb0.04S11.88Cl0.12 solid electrolyte towards ultrathin membrane for all-solid-state lithium batteries. Nano Letters[J]. 2023, 第 7 作者  通讯作者  
[4] Kang, Weiqiu, Gao, Xianhe, Li, Hongbo, Wei, Yang, Wang, Chao, Tian, Ziqi. Hierarchical Chiral Self-Assembly of Lead Halide Perovskite Nanocrystals by Oriented Phase Transition. ADVANCED FUNCTIONAL MATERIALS[J]. 2023, 第 6 作者  通讯作者  33(30): http://dx.doi.org/10.1002/adfm.202300388.
[5] Pan Xiang, Ziqi Tian, Yanle Li, Yang Gao, Zhiming Wang, Liang Chen. Theoretical exploration of the structural evolution of sodium sulfide clusters in Na-S batteries. APPLIED SURFACE SCIENCE. 2023, 第 2 作者  通讯作者  613: http://dx.doi.org/10.1016/j.apsusc.2022.155906.
[6] Dang, Jiaxin, Yin, Mingming, Pan, Dianhui, Tian, Ziqi, Chen, Genman, Zou, Jiaqun, Miao, He, Wang, Qin, Yuan, Jinliang. Four-functional iron/copper sulfide heterostructure for alkaline hybrid zinc batteries and water splitting. CHEMICAL ENGINEERING JOURNAL[J]. 2023, 第 4 作者  通讯作者  457: http://dx.doi.org/10.1016/j.cej.2023.141357.
[7] 李勃然, 李晖, 田子奇. 机器学习技术在气体吸附多孔材料研究中的应用进展. 现代化工[J]. 2022, 第 3 作者  通讯作者  42(4): 17-22, http://lib.cqvip.com/Qikan/Article/Detail?id=7107067843.
[8] Wang, Yinming, Tian, Ziqi, Yang, Qihao, Tong, Kaicheng, Tang, Xuan, Zhang, Nian, Zhou, Jing, Zhang, Linjuan, Zhang, Qiuju, Dai, Sheng, Lin, Yichao, Lu, Zhiyi, Chen, Liang. Atomically Dispersed Dual Metal Sites Boost the Efficiency of Olefins Epoxidation in Tandem with CO2 Cycloaddition. NANO LETTERS[J]. 2022, 第 2 作者22(20): 8381-8388, http://dx.doi.org/10.1021/acs.nanolett.2c03087.
[9] Chen, Xu, Tian, Ziqi, Yang, Qihao, Zhang, Linjuan, Yang, Qiu, Chen, Liang, Lu, Zhiyi. Cost-Effective H2O2-Regeneration of Powdered Activated Carbon by Isolated Fe Sites. ADVANCED SCIENCE[J]. 2022, 第 2 作者10(2): 2204079, http://dx.doi.org/10.1002/advs.202204079.
[10] Li, Yanle, Zheng, Guokui, Li, Lei, Zhang, Xingwang, Tian, Ziqi, Chen, Liang. Theoretical investigation of single-atom catalysts anchored on pure carbon substrate for electroreduction of NO to NH3. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2022, 第 5 作者  通讯作者  24(47): 29112-29119, 
[11] Ziqi Tian, Yuan Wang, Yanle Li, Ge Yao, Qiuju Zhang, Liang Chen. Theoretical study of the effect of coordination environment on the activity of metal macrocyclic complexes as electrocatalysts for oxygen reduction. ISCIENCE. 2022, 第 1 作者25(7): http://dx.doi.org/10.1016/j.isci.2022.104557.
[12] Li, Boran, Wang, Song, Tian, Ziqi, Yao, Ge, Li, Hui, Chen, Liang. Understanding the CO2/CH4/N-2 Separation Performance of Nanoporous Amorphous N-Doped Carbon Combined Hybrid Monte Carlo with Machine Learning. ADVANCED THEORY AND SIMULATIONS[J]. 2022, 第 3 作者  通讯作者  5(1): http://dx.doi.org/10.1002/adts.202100378.
[13] Yang, Qihao, Wang, Yinming, Tang, Xuan, Zhang, Qiuju, Dai, Sheng, Peng, Huaitao, Lin, Yichao, Tian, Ziqi, Lu, Zhiyi, Chen, Liang. Ligand Defect Density Regulation in Metal-Organic Frameworks by Functional Group Engineering on Linkers. NANO LETTERS[J]. 2022, 第 8 作者22(2): 838-845, http://dx.doi.org/10.1021/acs.nanolett.1c04574.
[14] Zheng, Guokui, Gong, Shun, Tian, Ziqi, Wang, Hui, Zhang, Qiuju. Theoretical Screening of Transition Metal Doped Defective MoS2 as Efficient Electrocatalyst for CO Conversion to CH4. CHEMPHYSCHEM[J]. 2022, 第 3 作者23(3): 
[15] Changqing Zhu, Yu Nie, Fenxian Cun, Yuan Wang, Ziqi Tian, Fuqiang Liu. Two-step pyrolysis to anchor ultrahigh-density single-atom FeN5 sites on carbon nitride for efficient Fenton-like catalysis near 0 °C. APPLIED CATALYSIS B: ENVIRONMENTAL[J]. 2022, 第 5 作者  通讯作者  319: http://dx.doi.org/10.1016/j.apcatb.2022.121900.
[16] Liu, Pingying, Tian, Ziqi, Chen, Liang. Rational Design of Smart Metal-Organic Frameworks for Light-Modulated Gas Transport. ACS APPLIED MATERIALS & INTERFACES[J]. 2022, 第 2 作者  通讯作者  14(28): 32009-32017, http://dx.doi.org/10.1021/acsami.2c07124.
[17] Yu, Yang, Ren, Zhuoya, Li, Lei, Han, Jiangang, Tian, Ziqi, Liu, Chengguo, Chen, Jianqiang. Ionic liquid-induced graphitization of biochar: N/P dual-doped carbon nanosheets for high-performance lithium/sodium storage. JOURNAL OF MATERIALS SCIENCE[J]. 2021, 第 5 作者  通讯作者  56(13): 8186-8201, http://dx.doi.org/10.1007/s10853-021-05823-3.
[18] Zhang, Zihao, Yao, Siyu, Hu, Xiaobing, Okejiri, Francis, He, Kun, Liu, Pingying, Tian, Ziqi, Dravid, Vinayak P, Fu, Jie, Zhu, Xiang, Dai, Sheng. Sacrificial Synthesis of Supported Ru Single Atoms and Clusters on N-doped Carbon Derived from Covalent Triazine Frameworks: A Charge Modulation Approach. ADVANCED SCIENCE[J]. 2021, 第 7 作者8(3): http://dx.doi.org/10.1002/advs.202001493.
[19] Zhang, Guangxun, Li, Yanle, Xiao, Xiao, Shan, Yang, Bai, Yang, Xue, HuaiGuo, Pang, Huan, Tian, Ziqi, Xu, Qiang. In Situ Anchoring Polymetallic Phosphide Nanoparticles within Porous Prussian Blue Analogue Nanocages for Boosting Oxygen Evolution Catalysis. NANO LETTERS[J]. 2021, 第 8 作者  通讯作者  21(7): 3016-3025, http://dx.doi.org/10.1021/acs.nanolett.1c00179.
[20] Alharthy, Mohammad, Suliman, Munzir H, AlBetar, AbdulRahman, Wang, Yuan, Tian, Ziqi, Drmosh, Qasem A, Yamani, Zain H, Qamar, Mohammad. Reaping the catalytic benefits of both surface (NiFe2O4) and underneath (Ni3Fe) layers for the oxygen evolution reaction. SUSTAINABLE ENERGY & FUELS[J]. 2021, 第 5 作者5(10): 2704-2714, http://dx.doi.org/10.1039/d0se01926g.
[21] Wu, Xiankun, Zhang, JiaYin, Zhou, LinSen, Guan, Rong, Zheng, WenTao, Tian, ZiQi, Huang, Kuan, Liu, Fujian. Graphene-based mesoporous frameworks with ultrahigh nitrogen contents for highly efficient and selective sulfur dioxide capture. CHEMICAL ENGINEERING JOURNAL[J]. 2021, 第 6 作者412: http://dx.doi.org/10.1016/j.cej.2021.128677.
[22] Yang, Zhen, Zhao, Lina, Hu, Min, Cai, Di, Tian, Ziqi, Baeyens, Jan, Dewil, Raf, Qin, Peiyong, Yang, Weiben, Graham, Nigel J D. Hydrophobic-modified metal-hydroxide nanoflocculants enable one-step removal of multi-contaminants for drinking water production. ISCIENCE[J]. 2021, 第 5 作者24(5): http://dx.doi.org/10.1016/j.isci.2021.102491.
[23] Qian, Xu, Li, Lei, Li, Yanle, Liu, Zeyu, Tian, Ziqi, Zhan, Cheng, Chen, Liang. Theoretical investigation of defective MXenes as potential electrocatalysts for CO reduction toward C-2 products. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2021, 第 5 作者  通讯作者  23(21): 12431-12438, http://dx.doi.org/10.1039/d1cp01291f.
[24] Zheng, Guokui, Li, Yanle, Qian, Xu, Yao, Ge, Tian, Ziqi, Zhang, Xingwang, Chen, Liang. High-Throughput Screening of a Single-Atom Alloy for Electroreduction of Dinitrogen to Ammonia. ACS APPLIED MATERIALS & INTERFACES[J]. 2021, 第 5 作者  通讯作者  13(14): 16336-16344, http://dx.doi.org/10.1021/acsami.1c01098.
[25] Li, Qing, Li, Xinran, Gu, Jiawei, Li, Yanle, Tian, Ziqi, Pang, Huan. Porous rod-like Ni2P/Ni assemblies for enhanced urea electrooxidation. NANO RESEARCH[J]. 2021, 第 5 作者  通讯作者  14(5): 1405-1412, https://www.webofscience.com/wos/woscc/full-record/WOS:000589500900004.
[26] Xu, Wenwen, Liang, Zheng, Gong, Shun, Zhang, Baoshan, Wang, Hui, Su, Linfeng, Chen, Xu, Han, Nana, Tian, Ziqi, Kallio, Tanja, Chen, Liang, Lu, Zhiyi, Sun, Xiaoming. Fast and Stable Electrochemical Production of H2O2 by Electrode Architecture Engineering. ACS SUSTAINABLE CHEMISTRY & ENGINEERING[J]. 2021, 第 9 作者9(20): 7120-7129, http://dx.doi.org/10.1021/acssuschemeng.1c01468.
[27] Zheng, Guokui, Li, Lei, Tian, Ziqi, Zhang, Xingwang, Chen, Liang. Heterogeneous single-cluster catalysts (Mn-3, Fe-3, Co-3, and Mo-3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction. JOURNAL OF ENERGY CHEMISTRY[J]. 2021, 第 3 作者  通讯作者  54(3): 612-619, http://lib.cqvip.com/Qikan/Article/Detail?id=7104209062.
[28] Yu, Yang, Ren, Zhuoya, Shang, Qianqian, Han, Jiangang, Li, Lei, Chen, Jianqiang, Fakudze, Sandile, Tian, Ziqi, Liu, Chengguo. Ionic liquid-induced low temperature graphitization of cellulose-derived biochar for high performance sodium storage. SURFACE & COATINGS TECHNOLOGY[J]. 2021, 第 8 作者  通讯作者  412: http://dx.doi.org/10.1016/j.surfcoat.2021.127034.
[29] Li, Lei, Guo, Haoran, Yao, Ge, Hu, Chenhui, Liu, Chunhong, Tian, Ziqi, Li, Baihai, Zhang, Qiuju, Chen, Liang. Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2020, 第 6 作者8(42): 22327-22334, http://dx.doi.org/10.1039/d0ta05821a.
[30] Yang, Zhen, Zhang, Yi, Wang, Xuzeng, Tian, Ziqi, Yang, Weiben, Graham, Nigel J D. Efficient adsorption of four phenolic compounds using a robust nanocomposite fabricated by confining 2D porous organic polymers in 3D anion exchangers. CHEMICAL ENGINEERING JOURNAL[J]. 2020, 第 4 作者396: https://www.webofscience.com/wos/woscc/full-record/WOS:000551969200108.
[31] Wang, Shuo, Li, Bo, Li, Lei, Tian, Ziqi, Zhang, Qiuju, Chen, Liang, Zeng, Xiao Cheng. Highly efficient N-2 fixation catalysts: transition-metal carbides M2C (MXenes). NANOSCALE[J]. 2020, 第 4 作者12(2): 538-547, http://dx.doi.org/10.1039/c9nr09157b.
[32] Yang, Zhen, Hou, Tianyang, Ma, Jiangya, Yuan, Bo, Tian, Ziqi, Yang, Weiben, Graham, Nigel J D. Role of moderately hydrophobic chitosan flocculants in the removal of trace antibiotics from water and membrane fouling control. WATER RESEARCH[J]. 2020, 第 5 作者177: http://dx.doi.org/10.1016/j.watres.2020.115775.
[33] 钱旭, 田子奇. 材料基因方法在材料设计中的应用. 数据与计算发展前沿[J]. 2020, 第 2 作者2(1): 128-141, http://www.jfdc.cnic.cn/CN/10.11871/jfdc.issn.2096-742X.2020.01.011.
[34] Chen, Mengjie, Wang, Shuai, Zhang, Haiyan, Zhang, Ping, Tian, Ziqi, Lu, Min, Xie, Xiaoji, Huang, Ling, Huang, Wei. Intrinsic defects in biomass-derived carbons facilitate electroreduction of CO2. NANO RESEARCH[J]. 2020, 第 5 作者  通讯作者  13(3): 729-735, http://sciencechina.cn/gw.jsp?action=detail.jsp&internal_id=6817972&detailType=1.
[35] Zheng, Qi, Tao, Tao, Fan, Yuting, Tian, Ziqi, Chen, Mindong. Fabrication of thiophene/dicyanovinyl aggregation-induced fluorescent materials for preferable detection of picric acid. DYES AND PIGMENTS[J]. 2020, 第 4 作者181: http://dx.doi.org/10.1016/j.dyepig.2020.108556.
[36] Qihao Yang, Wenwen Xu, Shun Gong, Guokui Zheng, Ziqi Tian, Yujie Wen, Luming Peng, Linjuan Zhang, Zhiyi Lu, Liang Chen. Atomically dispersed Lewis acid sites boost 2-electron oxygen reduction activity of carbon-based catalysts. NATURE COMMUNICATIONS[J]. 2020, 第 5 作者  通讯作者  11(1): https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7603490/.
[37] Zhou, Guangyao, Li, Meng, Li, Yanle, Dong, Hang, Sun, Dongmei, Liu, Xien, Xu, Lin, Tian, Ziqi, Tang, Yawen. Regulating the Electronic Structure of CoP Nanosheets by O Incorporation for High-Efficiency Electrochemical Overall Water Splitting. ADVANCED FUNCTIONAL MATERIALS[J]. 2020, 第 8 作者  通讯作者  30(7): https://www.webofscience.com/wos/woscc/full-record/WOS:000502933900001.
[38] Song, Zhibin, Huang, Wei, Zhou, Yan, Tian, ZiQi, Li, ZhangMin, Tao, DuanJian. Thermally regulated molybdate-based ionic liquids toward molecular oxygen activation for one-pot oxidative cascade catalysis. GREEN CHEMISTRY[J]. 2020, 第 4 作者22(1): 103-109, https://www.webofscience.com/wos/woscc/full-record/WOS:000505605500009.
[39] Zhang, Shaopeng, Jiang, Xin, Cheng, Shikun, Fu, Change, Tian, Ziqi, Yang, Zhen, Yang, Weiben. Enhanced scale inhibition against Ca-3(PO4)(2) and Fe2O3 in water using multi-functional fluorescently-tagged antibacterial scale inhibitors. ENVIRONMENTAL SCIENCE-WATER RESEARCH & TECHNOLOGY[J]. 2020, 第 5 作者6(4): 951-962, https://www.webofscience.com/wos/woscc/full-record/WOS:000525041900025.
[40] Liu, Zeyu, Tian, Ziqi, Lu, Tian, Hua, Shugui. Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2020, 第 2 作者124(27): 5563-5569, http://dx.doi.org/10.1021/acs.jpca.0c03166.
[41] Zheng, Guokui, Li, Lei, Hao, Shaoyun, Zhang, Xingwang, Tian, Ziqi, Chen, Liang. Double Atom Catalysts: Heteronuclear Transition Metal Dimer Anchored on Nitrogen-Doped Graphene as Superior Electrocatalyst for Nitrogen Reduction Reaction. ADVANCED THEORY AND SIMULATIONS[J]. 2020, 第 5 作者  通讯作者  3(12): http://dx.doi.org/10.1002/adts.202000190.
[42] Li, ZiLiang, Zhong, FuYu, Zhou, LinSen, Tian, ZiQi, Huang, Kuan. Deep Eutectic Solvents Formed by N-Methylacetamide and Heterocyclic Weak Acids for Highly Efficient and Reversible Chemical Absorption of Ammonia. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH[J]. 2020, 第 4 作者59(5): 2060-2067, https://www.webofscience.com/wos/woscc/full-record/WOS:000512223600032.
[43] Tang, Chuanqi, Zhang, Yiming, Han, Jiangang, Tian, Ziqi, Chen, Liang, Chen, Jianqiang. Monitoring graphene oxide's efficiency for removing Re(VII) and Cr(VI) with fluorescent silica hydrogels. ENVIRONMENTAL POLLUTION[J]. 2020, 第 4 作者262: http://dx.doi.org/10.1016/j.envpol.2020.114246.
[44] Yao, Na, Li, Chao, Yu, Jiayan, Xu, Qianqian, Wei, Shuya, Tian, Ziqi, Yang, Zhen, Yang, Weiben, Shen, Jian. Insight into adsorption of combined antibiotic-heavy metal contaminants on graphene oxide in water. SEPARATION AND PURIFICATION TECHNOLOGY[J]. 2020, 第 6 作者236: http://dx.doi.org/10.1016/j.seppur.2019.116278.
[45] Xu, Hewei, He, Ying, Zhang, Zibo, Shi, Junli, Liu, Pingying, Tian, Ziqi, Luo, Kan, Zhang, Xiaozhe, Liang, Suzhe, Liu, Zhaoping. Slurry -like hybrid electrolyte with high lithium -ion transference number for dendrite -free lithium metal anode. JOURNAL OF ENERGY CHEMISTRY[J]. 2020, 第 6 作者48(9): 375-382, http://lib.cqvip.com/Qikan/Article/Detail?id=7102839435.
[46] Zhou, Guangyao, Ma, Yaru, Wu, Xiaomei, Lin, Yingzi, Pang, Huan, Zhang, Mingyi, Xu, Lin, Tian, Ziqi, Tang, Yawen. Electronic modulation by N incorporation boosts the electrocatalytic performance of urchin-like Ni5P4 hollow microspheres for hydrogen evolution. CHEMICAL ENGINEERING JOURNAL[J]. 2020, 第 8 作者  通讯作者  402: http://dx.doi.org/10.1016/j.cej.2020.126302.
[47] Dong, Yan, Zhang, Qiuju, Tian, Ziqi, Li, Boran, Yan, Wensheng, Wang, Shuo, Jiang, Kemin, Su, Jianwei, Oloman, Colin W, Gyenge, Elod L, Ge, Ruixiang, Lu, Zhiyi, Ji, Xiulei, Chen, Liang. Ammonia Thermal Treatment toward Topological Defects in Porous Carbon for Enhanced Carbon Dioxide Electroreduction. ADVANCED MATERIALS[J]. 2020, 第 3 作者32(28): http://dx.doi.org/10.1002/adma.202001300.
[48] Li, Lei, Li, Baihai, Guo, Haoran, Li, Yanle, Sun, Chenghua, Tian, Ziqi, Chen, Liang. Synergistic effects of heteroatom-decorated MXene catalysts for CO reduction reactions. NANOSCALE[J]. 2020, 第 6 作者  通讯作者  12(29): 15880-15887, http://dx.doi.org/10.1039/d0nr03632c.
[49] Liu, YuMei, Tian, Ziqi, Qu, Feng, Zhou, Yan, Liu, Yong, Tao, DuanJian. Tuning Ion-Pair Interaction in Cuprous-Based Protic Ionic Liquids for Significantly Improved CO Capture. ACS SUSTAINABLE CHEMISTRY & ENGINEERING[J]. 2019, 第 2 作者7(13): 11894-11900, https://www.webofscience.com/wos/woscc/full-record/WOS:000474474800092.
[50] Lin, Yichao, Liu, Pingying, Velasco, Ever, Yao, Ge, Tian, Ziqi, Zhang, Linjuan, Chen, Liang. Fabricating Single-Atom Catalysts from Chelating Metal in Open Frameworks. ADVANCED MATERIALS[J]. 2019, 第 5 作者  通讯作者  31(18): https://www.webofscience.com/wos/woscc/full-record/WOS:000469242400012.
[51] Tian, Ziqi, Dai, Sheng, Jiang, Deen. Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation. ACS APPLIED POLYMER MATERIALS[J]. 2019, 第 1 作者1(1): 95-102, https://www.webofscience.com/wos/woscc/full-record/WOS:000476966500013.
[52] Yichao Lin, Ziqi Tian, Linjuan Zhang, Jingyuan Ma, Zheng Jiang, Benjamin J Deibert, Ruixiang Ge, Liang Chen. Chromium-ruthenium oxide solid solution electrocatalyst for highly efficient oxygen evolution reaction in acidic media. NATURE COMMUNICATIONS[J]. 2019, 第 2 作者10(1): 1-13, https://doaj.org/article/3403d186a0874af89e3c8ffacf9cd9fc.
[53] Ge, Ruixiang, Li, Lei, Su, Jianwei, Lin, Yichao, Tian, Ziqi, Chen, Liang. Ultrafine Defective RuO2 Electrocatayst Integrated on Carbon Cloth for Robust Water Oxidation in Acidic Media. ADVANCED ENERGY MATERIALS[J]. 2019, 第 5 作者  通讯作者  9(35): https://www.webofscience.com/wos/woscc/full-record/WOS:000489733800002.
[54] Li, Lei, Wang, Xingyong, Guo, Haoran, Yao, Ge, Yu, Haibo, Tian, Ziqi, Li, Baihai, Chen, Liang. Theoretical Screening of Single Transition Metal Atoms Embedded in MXene Defects as Superior Electrocatalyst of Nitrogen Reduction Reaction. SMALL METHODS[J]. 2019, 第 6 作者  通讯作者  3(11): 
[55] Guo, Haoran, Li, Lei, Wang, Xingyong, Yao, Ge, Yu, Haibo, Tian, Ziqi, Li, Baihai, Chen, Liang. Theoretical Investigation on the Single Transition-Metal Atom-Decorated Defective MoS2 for Electrocatalytic Ammonia Synthesis. ACS APPLIED MATERIALS & INTERFACES[J]. 2019, 第 6 作者  通讯作者  11(40): 36506-36514, https://www.webofscience.com/wos/woscc/full-record/WOS:000490357900023.
[56] Hou, Tianyang, Du, Hongwei, Yang, Zhen, Tian, Ziqi, Shen, Shichao, Shi, Yaxuan, Yang, Weiben, Zhang, Limin. Flocculation of different types of combined contaminants of antibiotics and heavy metals by thermo-responsive flocculants with various architectures. SEPARATION AND PURIFICATION TECHNOLOGY[J]. 2019, 第 4 作者223: 123-132, http://dx.doi.org/10.1016/j.seppur.2019.04.068.
[57] Wan, Hongli, Liu, Gaozhan, Li, Yanle, Weng, Wei, Mwizerwa, Jean Pierre, Tian, Ziqi, Chen, Liang, Yao, Xiayin. Transitional Metal Catalytic Pyrite Cathode Enables Ultrastable Four-Electron-Based All-Solid-State Lithium Batteries. ACS NANO[J]. 2019, 第 6 作者  通讯作者  13(8): 9551-9560, https://www.webofscience.com/wos/woscc/full-record/WOS:000484077800106.
[58] Zhang, Ya, Du, Huitong, Ma, Yongjun, Ji, Lei, Guo, Haoran, Tian, Ziqi, Chen, Hongyu, Huang, Hong, Cui, Guanwei, Asiri, Abdullah M, Qu, Fengli, Chen, Liang, Sun, Xuping. Hexagonal boron nitride nanosheet for effective ambient N-2 fixation to NH3. NANO RESEARCH[J]. 2019, 第 6 作者12(4): 919-924, http://lib.cqvip.com/Qikan/Article/Detail?id=7001880749.
[59] Suliman, Munzir H, Adam, Alaaldin, Li, Lei, Tian, Ziqi, Siddiqui, Mohammad N, Yamani, Zain H, Qamar, Mohammad. FeP/MoS2 Enriched with Dense Catalytic Sites and High Electrical Conductivity for the Hydrogen Evolution Reaction. ACS SUSTAINABLE CHEMISTRY & ENGINEERING[J]. 2019, 第 4 作者7(21): 17671-17681, 
[60] Liu, Na, Yao, Jian, Yin, Long, Lu, Tao, Tian, Ziqi, Dou, Xiaowei. Rhodium-Catalyzed Expeditious Synthesis of Indenes from Propargyl Alcohols and Organoboronic Acids by Selective 1,4-Rhodium Migration over beta-Oxygen Elimination. ACS CATALYSIS[J]. 2019, 第 5 作者  通讯作者  9(8): 6857-6863, 
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（1） Molecular Simulation of Porous Graphene, CRC Press, 2019-11, 第 1 作者
（2） Ultrathin Membranes for Gas Separation, John Wiley & Sons, Ltd, 2020-02, 第 1 作者

   

（ 1 ） 中国科学院“****C类青年俊才项目”, 负责人, 中国科学院计划, 2018-01--2019-12
（ 2 ） 中国科学院宁波材料技术与工程研究所“团队人才”人才计划项目, 负责人, 研究所自主部署, 2017-10--2021-10
（ 3 ） 用于气体分离的多孔骨架-流体分离介质复合膜的理论设计与模拟, 负责人, 国家任务, 2019-01--2021-12
（ 4 ） 材料高通量计算/实验平台数据自动汇交技术, 参与, 国家任务, 2018-07--2022-06
（ 5 ） 气体高效分离及电催化转化过程的理论方法开发与其在材料设计中的应用, 负责人, 研究所自主部署, 2018-01--2019-12
（ 6 ） 率先行动“****”青年项目, 负责人, 中国科学院计划, 2020-01--2022-12
（ 7 ） 数据驱动的高性能电解海水制氢系统开发, 负责人, 地方任务, 2020-08--2023-07
（ 8 ） 机器学习辅助的铜合金微观结构与电催化性能研究, 负责人, 国家任务, 2022-01--2025-12
（ 9 ） 数据驱动的电催化材料设计, 负责人, 地方任务, 2021-01--2023-12