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Xin Yang,Yanqing Shen*, Lingling Lv, Min Zhou, Yu Zhang, Xianghui Meng, Xiangqian Jiang, Qing Ai*, Yong Shuai*, and Zhongxiang Zhou*. Tuning the topological phase and anomalous Hall conductivity with magnetization direction in H-FeCl2 monolayer. Appl. Phys. Lett. 123, 203102 (2023) (online)
Nan Zhang, Yanqing Shen*, Lingling Lv, Xianghui Meng, Yu Zhang, Xin Yang, Min Zhou, Kexin Wang, Qirui He, Bing Zhang*, Zhongxiang Zhou. Infrared-light-driven SiN3 monolayer photocatalytic hydrolysis: A first-principles investigation. Vacuum 219, 112711 (2024) (online)
Yu Zhang, Yanqing Shen*, Lingling Lv, Min Zhou, Xin Yang, Xianghui Meng, Nan Zhang, Kexin Wang, Bing Zhang, and Zhongxiang Zhou*. Polarization-direction-controlled Z-scheme photocatalytic switch in Sc2CO2/PtS2 heterostructures: A first-principles study. Physical Review Applied 20, 044066 (2023) (online)
Min Zhou, Yanqing Shen*, LingLing Lv, Yu Zhang, Xianghui Meng, Xin Yang, Qirui He, Bing Zhang, Zhongxiang Zhou. Bare W-based MXenes (WCrC and MoWC) Anode with High Specific Capacity for Li and Mg-Ion Batteries. J. Phys. D: Appl. Phys. 57, 015502 (2023) (online)
Yu Zhang, Yanqing Shen*, Jiajia Liu, Lingling Lv, Min Zhou, Xin Yang, Xianghui Meng, Bing Zhang, Zhongxiang Zhou*. Symmetry-Breaking-Induced Ferroelectric HfSnX3 Monolayers and their Tunable Janus Structures: Promising Candidates for Photocatalysts and Nanoelectronics. Phys. Chem. Chem. Phys. 25, 22889-22899 (2023) (online)
Xianghui Meng, Yanqing Shen*, Jiajia Liu, Lingling Lv, Min Zhou, Xin Yang, Yu Zhang, Zhongxiang Zhou. Electronic and optical properties of two-dimensional III2-VI3 materials with the FE-WZ' structure. Applied Surface Science 638, 158084 (2023) (online)
Min Zhou, Yanqing Shen*, JiaJia Liu, LingLing Lv, Yu Zhang, Xianghui Meng, Xin Yang, Bing Zhang, Zhongxiang Zhou. Revealing the formation process of extra capacitance in Fe3O4/Li batteries with the first-principles study. Physica Scripta 98, 065526(2023) (online)
Xin Yang, Yanqing Shen*, Jiajia Liu, Lingling Lv, Min Zhou, Yu Zhang, Xianghui Meng, Zhongxiang Zhou*, Yangdong Zheng. Strain-Tunable Quantum Anomalous Hall Effect/Quantum Anomalous Valley Hall Effect in Two-Dimensional Ferromagnetic Non-Dirac Topological Half Metal N2Pd4S6. Appl. Phys. Lett. 122, 193102 (2023) (online)
Min Zhou, Yanqing Shen*, JiaJia Liu, LingLing Lv, Yu Zhang, Xianghui Meng, Xin Yang, Bing Zhang, Zhongxiang Zhou. Excellent double metal MXenes MoWC anode: The synergistic effect of molybdenum and tungsten transition metal. Vacuum 213, 112152 (2023) (online)
Min Zhou, Yanqing Shen*, JiaJia Liu, LingLing Lv, Yu Zhang, Xianghui Meng, Xin Yang, Bing Zhang, Zhongxiang Zhou. Collaborative activation mechanism in double transition metal MXenes anode: An effective method to improve the capacitance of sodium ion battery. Vacuum 213, 112150(2023) (online)
Yu Zhang, Yanqing Shen*, Jiajia Liu, Lingling Lv, Min Zhou, Xin Yang, Xianghui Meng, Zhongxiang Zhou*. Internal electric field enhanced photoelectrochemical water splitting in direct Z-scheme GeC/HfS2 heterostructure: A first-principles study. Appl. Phys. Lett. 122, 043902 (2023) (online)(2月6日前免费下载)
Min Zhou, Yanqing Shen*, JiaJia Liu, LingLing Lv, Yu Zhang, Xianghui Meng, Xin Yang, Yangdong Zheng, Zhongxiang Zhou. Novel metallic titanium fluoride: A promising high capacity and superionic conductivity anode in Li-, Na-, and K-ion batteries. Vacuum 210, 111822 (2023) (online) (3月3日前免费下载)
Xiao Li, Jiajia Liu, Jing Feng, Tong Wei, Zhongxiang Zhou, Jun Ma, Yueming Ren*, Yanqing Shen*. High-ratio {100} Plane-exposed ZnO Nanosheets with Dual-active Centers for Simultaneous Photocatalytic Cr(VI) Reduction and Cr(III) Adsorption from Water. Journal of Hazardous Materials 445, 130400 (2023) (online)
Lingling Lv, Yanqing Shen*, Jiajia Liu, Xu Gao, Min Zhou, Yu Zhang, Xianghui Meng, Xin Yang, Dewei Gong, Yangdong Zheng, Zhongxiang Zhou*. Revealing the origin of activity and selectivity for Ti/g-C3N4 to ammonia production via nitrate reduction electrocatalysis: a first-principles study. Applied Catalysis A: General 645, 118846 (2022) (online)(10月25日前免费下载)
Yu Zhang, Yanqing Shen*, Jiajia Liu, Lingling Lv, Xu Gao, Min Zhou, Xin Yang, Xianghui Meng, Yangdong Zheng, Zhongxiang Zhou*. Two novel easily exfoliated quaternary chalcogenides with high performance of photocatalytic hydrogen production. Applied Surface Science 604, 154555 (2022) (online) (10月8日前免费下载)
Jiajia Liu, Yanqing Shen*, Lingling Lv, Xu Gao, Xianghui Meng, Min Zhou, Xin Yang, Yu Zhang, Yangdong Zheng, Zhongxiang Zhou. Mechanical, electronic and photocatalytic properties of binary Ge-based materials GeX2 (X = B, C, N) with a pentagonal structure. Journal of Materials Chemistry C 10, 10147-10156 (2022) (online)
Lingling Lv, Yanqing Shen*, Jiajia Liu, Xu Gao, Min Zhou, Yu Zhang, Xianghui Meng, Xin Yang, Dewei Gong, Yangdong Zheng, Zhongxiang Zhou*. MX (M = Au, Ag; X = S, Se, Te) monolayers: Promising photocatalysts for oxygen evolution reaction with excellent light capture capability. Applied Surface Science 600, 154055 (2022) (online) (8月21日前免费下载)
Xu Gao, Yanqing Shen*, JiaJia Liu, LingLing Lv, Min Zhou, Zhongxiang Zhou, Yuan Ping Feng, Lei Shen*. Developing Dipole-scheme Heterojunction Photocatalysts. Applied Surface Science 599, 153942 (2022) (online)
Xu Gao, Yanqing Shen*, JiaJia Liu, LingLing Lv, Min Zhou, Zhongxiang Zhou, Yuan Ping Feng, Lei Shen*. Boost the large driving photovoltages for overall water splitting in direct Z-scheme heterojunctions by interfacial polarization. Catalysis Science & Technology 12, 3614-3621 (2022) (online)
Min Zhou, Yanqing Shen*, JiaJia Liu, LingLing Lv, Xu Gao, Yu Zhang, Xianghui Meng, Xin Yang, Yangdong Zheng, Zhongxiang Zhou. Superionic conductivity and large capacitance behaviors of two-metal MXenes WCrC in sodium ion battery. Vacuum 200, 111054 (2022) (online)
Min Zhou, Yanqing Shen*, JiaJia Liu, LingLing Lv, Xu Gao, Xinyu Wang, Xianghui Meng, Xin Yang, Yangdong Zheng, Zhongxiang Zhou. First-principles study on haeckelite hexagonal monolayer with high specific capacity for sodium-ion battery. Solid State Ionics 378,115898 (2022) (online)
Xin Yang, Yanqing Shen*, Jiajia Liu, Xianghui Meng, Xu Gao, Lingling Lv, Min Zhou, Yu Zhang, Yangdong Zheng and Zhongxiang Zhou*. Electronic and optical properties of a novel two-dimensional semiconductor material TlPt2S3: a first-principles study. Phys. Chem. Chem. Phys. 24, 7642-7652 (2022) (2022年 PCCP 热点论文，免费下载到6月末) (online)
Jiajia Liu, Yanqing Shen*, Lingling Lv, Xianghui Meng, Xu Gao, Min Zhou, Yangdong Zheng, Zhongxiang Zhou. Rational design direct Z-scheme β-GeSe/HfS2 heterostructure by interfacial engineering: Efficient photocatalyst for overall water splitting in the wide solar spectrum. Applied Surface Science 589, 153025 (2022) (online)
Jun Li*, Tongtong Xu, Wenjing Wu, Yanqing Shen, Zhongxiang Zhou*. Photocatalytic and tunable optical absorption properties of sandwich-like p-n type LaBO3/KNbO3 (B = Al, Ga) heterostructures. Physica E: Low-dimensional Systems and Nanostructures 139, 115171 (2022) (online)
Yu Zhang, Yanqing Shen*, Jiajia Liu, Lingling Lv, Xu Gao, Min Zhou, Xin Yang, Xianghui Meng, Yangdong Zheng, Zhongxiang Zhou*. Novel 2D HfTeS4 for water splitting with high visible-light absorption. Applied Surface Science 578, 151992 (2022) (online)
Lingling Lv, Yanqing Shen*, Jiajia Liu, Xianghui Meng, Xu Gao, Min Zhou, Yu Zhang, Dewei Gong, Yangdong Zheng, and Zhongxiang Zhou*. Computational Screening of High Activity and Selectivity TM/g-C3N4 Single-Atom Catalysts for Electrocatalytic Reduction of Nitrates to Ammonia. J. Phys. Chem. Lett. 12, 11143-11150 (2021)(online)
Jiajia Liu, Yanqing Shen*, Lingling Lv, Xinyu Wang, Min Zhou, Yangdong Zheng, Zhongxiang Zhou. Rational design of porous GeP2S6 monolayer for photocatalytic water splitting under the irradiation of visible light. FlatChem 30, 100296 (2021) (online)
Xu Gao, Yanqing Shen*, Jiajia Liu, Lingling Lv, Min Zhou, Zhongxiang Zhou, Y. P. Feng and Lei Shen*. Boosting photon absorption, exciton dissociation, and photocatalytic hydrogen and oxygen evolution reactions by build-in electric fields in Janus platinum dichalcogenides. Journal of Materials Chemistry C 9, 15026-15033 (2021) (online)
Yanqing Shen*, Zhongxiang Zhou. Erratum: "Structural, electronic, and optical properties of ferroelectric KTa1/2Nb1/2O3 solid solutions" [Journal of Applied Physics 103, 074113 (2008)] Journal of Applied Physics 130, 109901 (2021) (online)
Xianghui Meng, Yanqing Shen*, Jiajia Liu, Lingling Lv, Xin Yang, Xu Gao, Min Zhou, Xinyu Wang, Yangdong Zheng, Zhongxiang Zhou. The PtSe2/GaN van der Waals heterostructure photocatalyst with type II alignment: A first-principles study. Applied Catalysis A: General 624，118332 (2021) (online)
Xin Yang, Yanqing Shen*, Jiajia Liu, Xianghui Meng, Xu Gao, Lingling Lv, Min Zhou, Xinyu Wang, Yangdong Zheng, Zhongxiang Zhou. Significantly enhanced photocatalytic performance of the N-doped GeP3 monolayer: A first-principles study. Applied Surface Science 565, 150628 (2021) (online)
Lingling Lv, Yanqing Shen*, Xu Gao,Jiajia Liu,Shengyao Wu, Yanyan Ma, Xinyu Wang, Dewei Gong, Zhongxiang Zhou*. Strain engineering on the electrical properties and photocatalytic activity in gold sulfide monolayer. Applied Surface Science 546, 149066 (2021) (online)
Lingling Lv, Yanqing Shen*, Yanyan Ma, Xu Gao, Jiajia Liu, Shengyao Wu, Xinyu Wang, Dewei Gong and Zhongxiang Zhou*. Schottky Barrier Modification of GaSSe/graphene Heterojunctions Based on Density Functional Theory. Journal of Physics D: Applied Physics 54，155104 (2021) (online)
Ruonan Wang, Xiangyu Zhang, Lele Zhao, Jing Feng, Tong Wei, Yueming Ren*, Yanqing Shen*. In-situ synthesis of Fe and O co-doped g-C3N4 to enhance peroxymonosulfate activation with favorable charge transfer for efficient contaminant decomposition. Journal of the Taiwan Institute of Chemical Engineers 115, 198-207 (2020) (online)
Jiajia Liu, Yanqing Shen*, Xu Gao, Lingling Lv, Yanyan Ma, Shengyao Wu, Xinyu Wang, Zhongxiang Zhou. GeN3 Monolayer: A Promising 2D High-Efficiency Photo- hydrolytic Catalyst with High Carrier Mobility Transport Anisotropy. Applied Catalysis B: Environmental 279, 119368 (2020) (online)
Shengyao Wu, Yanqing Shen*, Xu Gao, Yanyan Ma, Zhongxiang Zhou. Novel two-dimensional photocatalyst SnN3 for overall water splitting with enhanced visible-light absorption. Nanoscale 11,18628-18639 (2019) (online)
Shengyao Wu, Yanqing Shen*, Xu Gao, Yanyan Ma, Zhongxiang Zhou. Highly Enhanced Optical Absorption in Visible Region: A Theoretical Insight into N-doped SnP3 Hydrogen Evolution Catalyst. Journal of Physics and Chemistry of Solids 136, 109193 (2020) (online).
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. Theoretical Insights into Two-Dimensional Ⅳ-Ⅴ Compounds: Photocatalysts for Overall Water Splitting and Nano-Electronic Applications. Inorganic Chemistry 58, 12053-12068 (2019) (online).
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. Graphene/GeTe van der Waals Heterostructure: Functional Schottky Device with Modulated Schottky Barriers via External Strain and Electric Field. Computational Materials Science 170, 109200 (2019) (pdf)(online).
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. Investigation on Photocatalytic Mechanism of Graphitic SiC (g-SiC)/MoS2 van der Waals Heterostructure Photocatalysts for Overall Water Splitting. Physical Chemistry Chemical Physics 21, 15372-15379 (2019) (2019年 PCCP 热点论文, PCCP Editor's Choice) (pdf) (online)
Yanyan Ma, Yanqing Shen*, Xu Gao, Shengyao Wu, Zhongxiang Zhou. First-principles investigation on hydrogen evolution reaction in KNbO3(100)/g-C3N4 heterojunction. Applied Catalysis A: General 582, 117103 (2019) (pdf) (online).
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. ZnO/g-GeC van der Waals Heterostructure: Novel Visible-light Photocatalyst for Small Molecule Splitting and Modulated Electronic Properties via External Strain and Electric Field. Journal of Materials Chemistry C 7, 4791-4799 (2019).(pdf)
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. Graphene/g-GeC Bilayer Heterostructure: Modulated Electronic Properties and Interface Contact via External Vertical Strains and Electric Field. Carbon 146, 337-347 (2019).(pdf)
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. A Water Splitting Photocatalysis: Blue Phosphorus/ g-GeC van der Waals Heterostructure. Applied Physics Letters 114, 093902 (2019).(pdf)
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. First-principles insights into efficient band gap engineering of the blue phosphorus/g-C3N heterostructure via external vertical strains. Applied Surface Science 479, 1098-1104 (2019).(pdf)
Xu Gao, Yanqing Shen*, Yanyan Ma, Shengyao Wu, Zhongxiang Zhou. Efficient band gap engineering and enhanced optical absorption of vertical germanene/h-AlN bilayer heterostructure: potential new electronics and optoelectronics. Physica Status Solidi B 256, 1800759 (2019).(pdf)
Jun. Li*, Wenjing Wu, Yanqing Shen*, Pan Zhang, Yang Hong, Han Bai, Guangmao Li, Zhongxiang Zhou. From LaAlO3/SrTiO3 to LaAlO3/KNbO3: Improving the transport properties of two-dimensional electronic gas in created %2B1/%2B1 interfaces. Computational Materials Science 156, 286-291 (2019).(pdf)
Pan Zhang, Yanqing Shen*, Wenjing Wu, Jun. Li, Zhongxiang Zhou. Enhanced photocatalytic performance of KNbO3(100)/ reduced graphene oxide nanocomposites investigated using first- principles calculations: RGO reductivity effect. Applied Surface Science 434, 932-939 (2018).(pdf)
Jun. Li*, Wenjing Wu, Yanqing Shen*, Pan Zhang, You Wu, Qingxin Meng, Zhongxiang Zhou, Dechang Jia. A first principles study of ferroelectricity and magnetism coexisting in Fe-doped K0.5Na0.5NbO3. Journal of Electronic Materials 47, 5773-5779 (2018).(pdf)
Wenlong Yang, Junsheng Han, Li Wang, Yanqing Shen, Linjun Li, Yuqiang Yang, Haidong Li, Liangyu Chen. Effect of ordered B-site cations on the structure, elastic and thermodynamic properties of KTa0.5Nb0.5O3 crystal. Appl. Phys. A 123, 461 (2017).(pdf)
Wenlong Yang, Li Wang, Jiaqi Lin, Xiaokang Li, Hanjiang Xiu Yanqing Shen. Effect of A site and oxygen vacancies on the structural and electronic properties of lead-free KTa0.5Nb0.5O3 Crystal. Journal of Electronic Materials 45, 3726–3733 (2016).(pdf)
Yanqing Shen*, Artem R. Oganov, Guangri Qian, Jin Zhang, Huafeng Dong, Qiang Zhu,Zhongxiang Zhou. Novel lithium-nitrogen compounds at ambient and high pressures. Scientific Reports 5, 14204 (2015).(pdf)
Yanqing Shen*, Wenhan Wang, Zhongxiang Zhou, Yongyuan Jiang, Chunfeng Hou, Weidong Fei. Two-dimensional electron gas in the KNbO3:Y ultrathin film. Journal of Materials Science 50, 74-78 (2015).(pdf)
Yanqing Shen*, Wenhan Wang, Xiaoou Wang, Zhongxiang Zhou, Weidong Fei. First-principles study of CO2 adsorption on KNTN (0 0 1) surfaces. Applied Surface Science 308, 269-274 (2014).(pdf)
Wenhan Wang, Yanqing Shen*, Xiaoou Wang, Zhongxiang Zhou, Weidong Fei. Adsorption of water on the KNTN (0 0 1) surface: A density functional theory study. Applied Surface Science 298, 102-108 (2014).(pdf)
Yanqing Shen, * Wenhan Wang, Zhongxiang Zhou, Yongyuan Jiang, Chunfeng Hou. The optical properties of lead-free KTa1/2Nb1/2O3:M where M = Li, Na, H, Cu, Zn. Computational Materials Science 83, 294-297 (2014).(pdf)
Lei Wang, Hao Tian, Xiangda Meng, Huishun Chen, Zhongxiang Zhou, Yanqing Shen. Field-induced enhancement of voltage-controlled diffractive properties in paraelectric iron and manganese co-doped potassium-tantalate-niobate crystal. Applied Physics Express 7, 112601 (2014).(pdf)
Yanqing Shen*, Zhongxiang Zhou, Wenhan Wang, Yongyuan Jiang, Chunfeng Hou. First-principles calculations of electronic and optical properties of lead-free KTa1-xNbxO3 under high pressure. Computational Materials Science 68, 1-4 (2013).(pdf)
Yanqing Shen*, Zhongxiang Zhou. Structure and electronic properties of lead-free KTa1-xNbxO3: Accurate Wu–Cohen and screened-exchange study. Computational Materials Science 65, 100-103 (2012).(pdf)
Yanqing Shen*, Zhongxiang Zhou. Structural and electronic properties of oxygen vacancy in lead-free KTa1-xNbxO3: Comparative first-principles calculations. Computational Materials Science 65, 193-196 (2012).(pdf)
Ying Wang,Yanqing Shen, Zhongxiang Zhou. Structures and elastic properties of paraelectric and ferroelectric KTa0.5Nb0.5O3 from first-principles calculation. Physica B-Condensed Matter 406, 850-853 (2011).(pdf)
Sun Hongguo, Zhou Zhongxiang, Yuan Chengxun, Shen Yanqing. Properties of KNTN [1 0 0] surfaces: A first-principles study. Computational Materials Science 50, 2354-2358 (2011).(pdf)
Hongguo Sun, Zhongxiang Zhou, Yanqing Shen, ChengXun Yuan. The effect of B-site cations on the properties of KTaxNb1？xO3 [1 0 0] surface: A study of density functional theory. Computational Materials Science 50, 338-343 (2010).(pdf)
H. F. Wang, Z. X. Zhou, H. Tian, D. J. Liu, Y. Q. Shen. Electric control of enhanced lateral shift owing to surface plasmon resonance in Kretschmann configuration with an electro-optic crystal. Journal of Optics 12, 045708 (2010).(pdf)
Yanqing Shen*, Zhongxiang Zhou. The Effect of Local Ordering on the Structure Phase Transition in Disordered KTa1/2Nb1/2O3 from First Principles Studies. Computational Materials Science 42, 434-438 (2008).(pdf)
Yanqing Shen*, Zhongxiang Zhou. Structural, Electronic, and Optical Properties of Ferroelectric KTa1/2Nb1/2O3 Solid Solutions. Journal of Applied Physics 103, 074113 (2008).(pdf)
Yanqing Shen*, Zhongxiang Zhou. The Effects of the Doped Cu on the Physical Properties of KNbO3 Crystal. Chemical Physics Letters 454, 114-117 (2008).(pdf)
Yanqing Shen*, Zhongxiang Zhou. The Effect of B Site Cations on the Electronic Structure of Para-electric KTa1/2Nb1/2O3 Crystal. Journal of Alloys and Compounds 466, 525-529 (2008).(pdf)
Yanqing Shen*, Zhongxiang Zhou. The Effect of B Site Cations on Optical Properties of Paraelectric KTa1/2Nb1/2O3 Crystal. Computational Materials Science 41, 542-546 (2008).(pdf)
Zhongxiang Zhou, Hongli Wang, Yanqing Shen, Dajun Liu, Hai Liu, Shiyu He, Dezhuang Yang. Study on the Optical Property of Quartz Glass and Al Film Reflector under Charged Particles Irradiation. Acta Physica Sinica 57, 592-599 (2008).(pdf)
Yanqing Shen*, Zhongxiang Zhou, Hao Tian, Yongyuan Jiang. The Effect of B Site Cations on the Properties of Para-electric KTa1/2Nb1/2O3 Crystal from First-principles Calculations. Physica B-Condensed Matter 400, 212-217 (2007).(pdf)
Hao Tian, Chongjun He, Yanqing Shen, Jiangbo Xin, Zhongxiang Zhou. Growth and Characterization of Perovskite K1-yLiyTa1-xNbxO3:Ce. Journal of Rare Earths 24, 261-263 (2006).(pdf)
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