精细化工

能源转换与存储、光电催化的理论计算与实验

[1] Hu Yuan, Fan Yu, Qian Xue, Wu Jiang, Deqin He, Yi Zeng, Xueqiang Qi*, Linlin Yang*, Jing Yu*, Jordi Arbiol*, Andreu Cabot*. Cascade electrocatalysis via Cu-O-C interfaces for ultralow-Pd formate oxidation. Applied Catalysis B: Environment and Energy, 2026, 389: 126599.
[2] Chuang Fu, Xueqiang Qi*, Lei Zhao, Tingting Yang, Qian Xue, Zhaozhao Zhu, Pei Xiong, Jinxia Jiang, Xuguang An, Haiyuan Chen, Jun Song Chen, Andreu Cabot*, Rui Wu*. Synergistic Cooperation between Atomically Dispersed Zn and Fe on Porous Nitrogen-doped Carbon for Boosting the Oxygen Reduction Reaction. Applied Catalysis B-Environmental, 2023, 335: 122875.
[3] Juguo Dai, Chunying Yang, Yiting Xu*, Xiaohong Wang, Siyu Yang, Dongxu Li, Lili Luo, Long Xia, Junshan Li, Xueqiang Qi*, Andreu Cabot*, Lizong Dai*. MoS2@Polyaniline for Aqueous Ammonium-Ion Supercapacitors. Advanced Materials, 2023, 35(39): 2303732.
[4] Wu Jiang, Junjie Wang, Xueqiang Qi*, Zhaozhao Zhu, Lei Zhao, Jun Song Chen,  Rui Wu*. Sulfur-Doped Bi2O3 Nanorods with Asymmetric S-Bi-O Active Sites for Highly Efficient Electrosynthesis of Formic Acid, Advanced Functional Materials, 2025, DOI:10.1002/adfm.202527887.
[5] Xiaohong Wang, Juguo Dai, Dongxu Li, Jianghua Wu, Hucheng Fu, Yiting Xu*, Xueqiang Qi*, Qian Xue, Yanbin Shen, Xiaoqing Pan, Conghui Yuan, Shuifen Xie, Andreu Cabot, Lizong Dai. Dual-Site Ru Single-Atoms and RuP Nanoclusters on N, P, and B Co-Doped Porous Carbon for Efficient Alkaline HER and AEM Water Electrolysis, Advanced Functional Materials, 2026; 0:e29149 https://doi.org/10.1002/adfm.202529149.
[6] Juguo Dai, Xueqiang Qi*, Long Xia, Qian Xue, Lili Luo, Xiaohong Wang, Chunying Yang, Dongxu Li, Hongmei Xie, Andreu Cabot*, Lizong Dai*, Yiting Xu*. Aqueous Ammonium-Ion Supercapacitors with Unprecedented Energy Density and Stability Enabled by Oxygen Vacancy-Enriched MoO3@C. Advanced Functional Materials, 2023, 33(10): 2212440.
[7] Rui Wu, Jiayu Zuo, Chuang Fu, Zhaozhao Zhu, Lei Zhao, Junjie Wang, Qiyu Li, Qian Xue, Zhao Li, Xiaobin Niu, Xueqiang Qi*, Na Yang*, Jun Song Chen*. Enhancing Rechargeable Zinc-Air Batteries with Atomically Dispersed Zinc Iron Cobalt Planar Sites on Porous Nitrogen-Doped Carbon. ACS Nano, 2025, 19, 21, 20215–20224.
[8] Xiang Wang*, Junshan Li, Qian Xue, Xu Han, Congcong Xing, Zhifu Liang, Pablo Guardia, Yong Zuo, Ruifeng Du, Lluis Balcells, Jordi Arbiol, Jordi Llorca, Xueqiang Qi*, Andreu Cabot*. Sulfate-Decorated Amorphous-Crystalline Cobalt-Iron Oxide Nanosheets to Enhance O-O Coupling in the Oxygen Evolution Reaction. ACS Nano, 2023, 17(1): 825-836.
[9] Jesús Chacón-Borrero, Xuede Qi, Xuesong Zhang, Armando Berlanga-Vázquez, Xingqi Chang, Guillem Montaña-Mora, Karol V. Mejía-Centeno, Helena Rabelo Freitas, María Chiara Spadaro, Jordi Arbiol, Jordi Llorca, Pablo Guardia, Xueqiang Qi*, Chao Yue Zhang*, Andreu Cabot*. Enhanced lithium polysulfide adsorption and reaction with cobalt-doped spinel additives for robust lithium-sulfur batteries, Energy Storage Materials, 2025, 77: 104207.
[10] Linlin Yang, Ren He, Xiang Wang, Tingting Yangc, Ting Zhang, Yong Zuo, Xuan Lu, Zhifu Liang, Junshan Li, Jordi Arbiol, Paulina R. Martínez-Alanis*, Xueqiang Qi*, Andreu Cabot*. Self-supported NiO/CuO electrodes to boost urea oxidation in direct urea fuel cells. Nano Energy, 2023, 115: 108714.
[11] Xuede Qi, Chao Yue Zhang*, Jing Yu, Chen Huang, Ao Yu, Qian Xue, Canhuang Li, Kun Li, Xuan Lu, Yuchuan Ren, Xiaoyu Bi, Chaoqi Zhang, Junshan Li, Jin Yuan Zhou, Jordi Arbiol, Xueqiang Qi*, Andreu Cabot*. Rapid electron transfer in Co0.85Se-MoSe2/NCP heterostructure catalyst towards robust lithium-sulfur batteries, Journal of Energy Chemistry, 2025, 106: 852-863.
[12] Chao Cheng, Syed Shoaib Ahmad Shah, Tayyaba Najam, LingZhang, Xueqiang Qi*, Zidong Wei*. Highly active electrocatalysis of hydrogen evolution reaction in alkaline medium by Ni-P alloy: a capacitance-activity relationship, Journal of Energy Chemistry, 2017, 26: 1245-1251.
[13] Xueqiang Qi*, Tingting Yang, Pingbo Li, Zidong Wei*. DFT Study on ORR Catalyzed by Bimetallic Pt-skin Metals over Substrates of Ir, Pd and Au. Nano Materials Science, 2023, 5(3): 287-292.
[14] Karol V. Mejia-Centeno, Guillem Montaña-Mora, Jesús Chacón-Borrero, Qian Xue, Li Gong, Sara Martí-Sánchez, Armando Berlanga-Vázquez, Jordi Llorca, Maria Ibáñez, Jordi Arbiol, Xueqiang Qi*, Paulina R. Martinez-Alanis*, Andreu Cabot*. Glucose electrooxidation with simultaneous H2 production on nickel-zinc electrocatalysts derived from an ethylenediamine-functionalized zeolitic imidazole framework. Chemical Engineering Journal, 2025, 515: 163491.
[15] Juguo Dai, Yizhang Yang, Jing Yu, Hucheng Fu, Yiting Xu*, Qiaoyun Qin, Xueqiang Qi*, Lizong Dai*, Andreu Cabot*. Aqueous ammonium-ion hybrid supercapacitors, Chemical Engineering Journal, 2024, 500, 157343.
[16] Junfeng Liu*, Haiting Liu, Qiuxia Wang, Tong Li, Tingting Yang, Wenjie Zhang, Hui Xu, Huaming Li, Xueqiang Qi*, Yong Wang*, Andreu Cabot*. Phosphorus doped PdMo bimetallene as a superior bifunctional fuel cell electrocatalyst. Chemical Engineering Journal, 2024, 486, 150258.
[17] Kewei Wu, Hao He, Qian Xue, Chaoqi Zhang, Xueqiang Qi*, Andreu Cabot*, Xuebu Hu*. CoSe2-decorated carbon nanoffbers: A catalytic electrode for uniform Li2Se nucleation in lithium-selenium batteries. Chemical Engineering Journal, 2023, 466: 142988.
[18] Shun Lu, Matthew Hummel, Zhengrong Gu*, Yucheng Wang, Keliang Wang, Rajesh Pathak, Yue Zhou, Hongxing Jia, Xueqiang Qi*, Xianhui Zhao, Ben Bin Xu, and Xiaoteng Liu*. Highly Efficient Urea Oxidation via Nesting Nano-Nickel Oxide in Eggshell Membrane-Derived Carbon. ACS Sustainable Chemistry & Engineering, 2021, 9(4): 1703-1713.
[19] Qi Zhou, Xueqiang Qi*,Yiguang Zhou, Junyi Li, Jinxia Jiang*, Hanchao Li, Xiaobin Niu, Rui Wu, Jun Song Chen*. Zinc-cobalt-bimetallic catalyst on three-dimensional ordered nitrogen-doped porous carbon for high-performance lithium-selenium batteries. Journal of Alloys and Compounds, 2023, 942: 168944.
[20] Ye Tian, Ning Liu, Qian Xue, Hao Liu*, Xueqiang Qi*, Andreu Cabot, Libing Liao*. Hierarchical cobalt-pentlandite (Co, Ni, Zn)9S8 nanostructures: advanced electrodes for flexible solid-state supercapacitors.
J. Mater. Chem. A, 2025,13, 19522-19534.
[21] Lei Zhao, Xueqiang Qi*, Tingting Yang, Pei Xiong, Xiaobin Niu, Jinxia Jiang, Qian Xue, Le Yu, Jun Song Chen, Andreu Cabot *, Rui Wu*. Coupling PtZn intermetallic and atomically dispersed cobalt towards efficient and stable oxygen reduction reaction catalysts. J. Mater. Chem. A, 2023, 11, 24371-24378.
[22] Linke Cai#, Bo Yan#, Qian Xue#, Jiling Li, Pu Liu, Xueqiang Qi*, Guowei Yang*. Electronic modulation of NiO by constructing an amorphous/crystalline heterophase to improve photocatalytic hydrogen evolution. J. Mater. Chem. A, 2022,10(36): 18939-18949.
[23] Pingbo Li, Xueqiang Qi*, Lei Zhao, Junjie Wang,Meng Wang*, Minhua Shao, Jun Song Chen, Rui Wu*, Zidong Wei. Hierarchical 3D porous carbon with facilely accessible Fe-N4 single-atom sites for Zn-air batteries, J. Mater. Chem. A, 2022, 10(11): 5925-5929.
[24] Lijuan Lu, Yao Nie, Yao Wang, Guangping Wu, Lingjie Li, Jing Li, Xueqiang Qi*, Zidong Wei*. Preparation of Highly-Dispersed Carbon Supported AuPt Nanoparticles via a Capping Agent-Free Route for Efficient Methanol Oxidation. J. Mater. Chem. A, 2018, 6, 104-109.
[25] Hamid Mollania, Chaoqi Zhang, Ruifeng Du, Xueqiang Qi*, Junshan Li, Sharona Horta, Maria Ibañez, Caroline Keller, Pascale Chenevier, Majid Oloomi-Buygi*, Andreu Cabot*. Nanostructured Li2S Cathodes for Silicon–Sulfur Batteries. ACS Applied Materials & Interfaces, 2023, 15, 50, 58462–58475.
[26] Xiang Wang, Yong Zuo, Sharona Horta, Ren He, Linlin Yang, Ahmad Ostovari Moghaddam, Maria Ibáñez, Xueqiang Qi*, Andreu Cabot*. CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction. ACS Applied Materials & Interfaces, 2022, 14(42), 48212-48219.
[27] Yao Nie, Xueqiang Qi* Rui Wu*, Ruolan Yang, Ruolan Yang, Hong Wang, Min Deng, Shuo Zhang, Shun Lu, Zhengrong Gu, Xiaoteng Liu*. Structurally ordered PtFe intermetallic nanocatalysts toward efficient electrocatalysis of methanol oxidation, Applied Surface Science, 2021, 569: 151004.
[28] Fan Yu, Hong Liu, Hu Yuan, Wu Jiang, Deqin He, Mingyue Li, Keman Yin, Bingning Wang*, Xueqiang Qi*, Adsorption and gas-sensitive properties of Pb and Rh doped GaNNT for lithium battery thermal runaway gases: A DFT study, Surface and Interfaces, 2025, 75: 107822.
[29] Fan Yu, Hu Yuan, Wu Jiang, Deqin He, Hong Liu, Xueqiang Qi*. Comparison of Gas-sensitive Response of three metal-doped GaNNT with Pb, Pd and Pt after Adsorption of Hazardous Gases. Surfaces and Interfaces, 2024, 54, 105170.
[30] Ahmad Ostovari Moghaddam*, Seyedsaeed Mehrabi-Kalajahi*, Xueqiang Qi*, Rana Salari, Rahele Fereidonnejad, Amin Abdollahzadeh, Daniil A. Uchaev, Elena A. Kazakova, Mikhail A. Varfolomeev, Andreu Cabot, Andrey S. Vasenko, Evgeny A. Trofimov. La(FeCuMnMgTi)O3 High-Entropy Oxide Nanoparticles as Highly Efficient Catalysts for Solvent-Free Aerobic Oxidation of Benzyl Alcohol. The Journal of Physical Chemistry Letters, 2024, 15, 7577–7583.
[31] Bo Yan, Qian Xue, Linke Cai, Haoran Shi, Pu Liu, Xueqiang Qi*, Guowei Yang*. Biaxial strain-induced trions in artificial onion-like MoSe2 for promoting photocatalytic hydrogen evolution. Materials Today Nano, 2023, 23, 100360.
[32] Qian Xue, Xuede Qi, Kun Li, Yi Zeng, Feng Xu, Kai Zhang, Xueqiang Qi*, Li Li*, Andreu Cabot*. Axial heteroatom (P, S and Cl)-decorated Fe single-atom catalyst for the oxygen reduction reaction: a DFT study. RSC Adv., 2024,14, 16379-16388.
[33] Chao Cheng, Syed Shoaib Ahmad Shah, Tayyaba Najam, Xueqiang Qi*, Zidong Wei*. Improving the electrocatalytic activity for hydrogen evolution reaction by lowering the electrochemical impedance of RuO2/Ni-P, Electrochimica Acta, 260 (2018) 358-364.
[34] Hao Chen, Xueqiang Qi*, Min Kuang, Fan Dong, Yuxin Zhang*. Hierarchical copper/nickel-based manganese dioxide core-shell nanostructure for supercapacitorelectrodes, Electrochim. Acta., 2016, 212: 671-677.
[35] Xiaoyu Tang, Qian Xue, Xueqiang Qi*, Chen Cheng, Mingyuan Yang, Tingting Yang, Feng Chen*, Facheng Qiu, Xuejun Quan*. DFT and experimental study on visible-light driven photocatalysis of rare-earth-doped TiO2, Vacuum, 2022, 200: 110972.
[36] Yi Zeng, Shun Lu*, Haoqi Wang*, Mohamed N. Khalil, Qingsong Hua*, Xueqiang Qi*. In Situ Electrodeposition Self-Supported Bimetallic Sulfides for Urea Electrooxidation. ChemCatChem, 2025, 17: e202500298.
[37] Kun Li, Xuede Qi, Jingwen Liu, Qi Xiang, Xiaoyi Huang, Xueqiang Qi*, Qiaoyun Qin*. Enhanced Visible-Light Photocatalytic Activity of Ball-flower TiO2/MoS2 Heterojunction. ChemistrySelect, 2025, 10, e01046.
[38] Kai Zhang, Hu Yuan, Feng Xu, Qian Xue, Yi Zeng, Xuede Qi, Kun Li, Qingwu Li, Mingjie Zhang, Xuebu Hu, Shun Lu*, Jinxia Jiang*, Xueqiang Qi*. Rational Fabrication of MoS2/g-C3N4 Heterostructures for Efficient Photocatalytic Degradation of Rhodamine B. ChemistrySelect, 2024, 9, e202401034.
[39] Zhao Li#, Xueqiang Qi#(共一), Junjie Wang, Zhaozhao Zhu, Xiaobin Niu, Andreu Cabot*, Jun Song Chen*, Rui Wu*. Stabilizing highly active atomically dispersed NiN4Cl sites by Cl-doping for CO2 electroreduction. SusMat, 2023, 3(4): 498-509.
[40] Guillem Montaña-Mora, Xueqiang Qi*, Xiang Wang, Jesus Chacón-Borrero, Paulina R. Martinez-Alanis, Xiaoting Yu, Junshan Li, Qian Xue, Jordi Arbiol, Maria Ibáñez*, Andreu Cabot*. Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry, 2023, 936: 117369.
[41] Qian Xue, Xueqiang Qi*, Tingting Yang, Jinxia Jiang*, Qi Zhou, Chuang Fu, Na Yang*. DFT Study on the CO2 Reduction to C2 Chemicals Catalyzed by Fe and Co Clusters Supported on N-Doped Carbon. Nanomaterials, 2022, 12(13): 2239.
[42] Shun Lu, Matthew Hummel, Shuai Kang, Rajesh Pathak, Wei He, Xueqiang Qi*, Zhengrong Gu*. DFT investigation of NiO@Graphene composite as urea oxidation catalyst in alkaline electrolyte. ACS Omega, 2021, 6, 22, 14648-14654.
[43] Shun Lu, Zhengrong Gu*, Matthew Hummel, Yue Zhou, Keliang Wang, Ben Bin Xu, Yucheng Wang, Yifan Li, Xueqiang Qi*, Xiaoteng Liu*. Nickel Oxide Immobilized on the Carbonized Eggshell Membrane for Electrochemical Detection of Urea. J. Electrochem. Soc. 2020, 167:106509.
[44] Xuemei Zhang, Zengzilu Xia, Yingzhou Huang, YunpengJia, Xiaonan Sun, Yu Li, Xueming Li, Rui Wu, Anping Liu*, Xueqiang Qi*, Shuxia Wang, Weijia Wen. Shape-Controlled Synthesis of Pt Nanopeanuts, Sci. Rep., 2016, 6: 31404.
[45] Jun Wang, Dingfang Liu, Xueqiang Qi*, Kun Xiong, Li Li, Zidong Wei*. Insight into the effect of CaMnO3 support on the catalytic performance of platinum catalysts, Chem. Eng. Sci., 2015, 135: 179-186.
[46] Xueqiang Qi, M. Rosa Axet*, KarinePhilippot*, Pierre Lecante, Philippe Serp. Seed-mediated synthesis of bimetallic ruthenium-platinum nanoparticles efficient in cinnamaldehyde selective hydrogenation, Dalton Trans., 2014, 43: 9283-9295.
[47] Xueqiang Qi, Zidong Wei*, Lanlan Li, Li Li, MengboJi, Yi Zhang, Meirong Xia, Xinli Ma. DFT studies of the pH dependence of the reactivity of methanol on a Pd(111) surface, J. Mol. Struct., 2010, 980: 208-213.
[48] Xueqiang Qi, Zidong Wei*, Li Li, MengboJi, Lanlan Li, Qian Zhang, Meirong Xia, Siguo Chen, Linjiang Yang. DFT study on interaction of hydrogen with Pd(111), Comput. Theor. Chem., 2012, 979: 96-101.

[1] 科技部“高端外国专家引进计划”项目（负责人）：新能源转换与存储关键材料技术。
[2] 国家自然科学基金面上项目（负责人）：PtM/CNTs催化甲醇氧化从表面构效到界面限域效应的应用基础。
[3] 国家自然科学基金青年项目（负责人）：甲醇催化氧化“电极/溶液”界面模型的构建和理论模拟。
[4] 国家自然科学基金面上项目(第二单位联合申报)：耐磺酸基团中毒的非接触Pt-Nafion离聚物界面构筑与直接涂膜技术研究。
[5] 重庆市教委科学技术研究计划重点项目(负责人)：氮掺杂碳基单原子催化剂的高通量计算及其电催化ORR应用。
[6] 重庆市自然科学基金(负责人)：三维双通道单原子MNxL(M=Fe、Co和Ni)催化剂的理论设计和可控制备。
[7] 中国博士后科学基金面上项目(负责人)，CNT负载多级结构PtM（M为Fe、Co、Ni）合金催化剂的理论基础及实验制备。
[8] 重庆市科委基础研究与前沿探索(负责人)：高效能过渡金属氧化物负载Pd基复合催化剂的理论设计及可控制备。
[9] 重庆市教委科学技术研究计划项目(负责人)：杂原子掺杂石墨烯负载PtAu催化剂的研究。