JW
Jun-jie Wang
cond-mat.mtrl-scih-MBenesHERDFT Calculationsh‐MAB2D MBenes2D Mo2ErB3T2.52D transition metal boridesAmmonia productionammonia syntheses
On Valency
published · living versionsW_r9ppk9vz·v2 · currentpublished
Computational Design of Flexible Electrides with Non-trivial Band Topology
with Sheng-cai Zhu, Lei Wang, Jing-yu Qu, Timofey Frolov +2
2 versions
W_5tjcy6mt·v1published
Preprints & journals
46 papers in the corpus · 2010–2026Discovery of Electron-Neutral Electrides with Pressure-Induced Superconductivity.42913528 · Yu, Jiahao, Pei, Cuiying, Hosono, Hideo et al.2026 · 0 citationsJournal of the American Chemical Society. 2026;148(40):43509-43523
RuCo Nanoalloy Catalysts Obtained From In-Situ Reconstruction of High-Entropy Oxides for Green Ammonia Synthesis.42615930 · Wang, Xiuyun, Yu, Jiahao, Su, Kailin et al.2026 · 0 citationsAngewandte Chemie (International ed. in English). 2026;65(41):e9715444
Boosting photocatalytic hydrogen production in complex environments by confining trace MoBTx MBene.41894495 · Wang, Binfen, Wang, Hongwei, Xu, Wenyu et al.2026 · 6 citationsScience advances. 2026;12(13):eaed6189
Engineering Oxygen-Terminated Hexagonal MBene for Accelerated Lithium Migration and Exceptional Lithium-Ion Battery Performance.41001732 · Shen, Qing, Wang, LeYang, Jiang, Pengjie et al.2025 · 11 citationsAdvanced science (Weinheim, Baden-Wurttemberg, Germany). 2025;12(47):e13674
Electrocatalytic CO2 Reduction Empowered by 2D Hexagonal Transition Metal Borides.40168183 · Di, Yaxin, Wang, Zhiqi, Wang, Guangqiu et al.2025 · 17 citationsAdvanced science (Weinheim, Baden-Wurttemberg, Germany). 2025;12(25):e2500977
Size Effect of Surface Defects Dictates Reactivity for Nitrogen Electrofixation.40029950 · Sun, Yuntong, Lu, Gonggong, Wang, Zhiqi et al.2025 · 11 citationsAngewandte Chemie (International ed. in English). 2025;64(19):e202425112
Two-Dimensional Rare-Earth Metal Phosphides: From Weyl Semimetal to Semiconductor.39630009 · Wang, Shiyao, Meng, Weizhen, An, Yurong et al.2024 · 1 citationACS applied materials & interfaces. 2024;16(50):69733-69743
Efficient and Stable Photoassisted Lithium-Ion Battery Enabled by Photocathode with Synergistically Boosted Carriers Dynamics.39601935 · Ma, Zelin, Wang, Shiyao, Ma, Zhuangzhuang et al.2025 · 26 citationsNano-micro letters. 2024;17(1):74
Theoretical investigations of two-dimensional intrinsic magnets derived from transition-metal borides M3B4 (M = Cr, Mn, and Fe).39559528 · Ma, Chunmei, Wang, Shiyao, Gao, Chenguang et al.2024 · 9 citationsScience and technology of advanced materials. 2024;25(1):2404384
Discovery of Bimetallic Hexagonal MBene Mo2ErB3T2.5 (T = O, F, and Cl).39344552 · Wang, Zhiqi, Su, Jianan, Feng, Duo et al.2024 · 19 citationsSmall (Weinheim an der Bergstrasse, Germany). 2024;20(50):e2407100
A rising Layered Boride Family for Energy and Catalysis Applications: Novel Hexagonal MAB phases and MBenes.38850229 · Miao, Nanxi, Yan, Yujing, Wang, Junjie2024 · 45 citationsChemSusChem. 2024;17(22):e202400229
Rational design of 2D Janus P3m1 M2N3 (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties.38716510 · Zhang, Heng, Guégan, Frédéric, Wang, Junjie et al.2024 · 7 citationsPhysical chemistry chemical physics : PCCP. 2024;26(20):14675-14683
Defect Engineering of Hexagonal MAB Phase Ti2InB2 as Anode of Lithium-Ion Battery with Excellent Cycling Stability.38491742 · Shen, Qing, Shi, Yang, He, Yibo et al.2024 · 32 citationsAdvanced science (Weinheim, Baden-Wurttemberg, Germany). 2024;11(21):e2308589
Systematic assessment of various universal machine-learning interatomic potentials2403.05729v3 · Haochen Yu, Matteo Giantomassi, Giuliana Materzanini et al.2024 · 65 citationsarXiv
Biomimetic Design of a Dynamic M-O-V Pyramid Electron Bridge for Enhanced Nitrogen Electroreduction.38447176 · Sun, Yuntong, Li, Xuheng, Wang, Zhiqi et al.2024 · 80 citationsJournal of the American Chemical Society. 2024;146(11):7752-7762
High intrinsic phase stability of ultrathin 2M WS2.38341471 · Liu, Xiangye, Zhang, Pingting, Wang, Shiyao et al.2024 · 36 citationsNature communications. 2024;15(1):1263
h-MBenes: Promising Two-Dimensional Material Family for Room-Temperature Antiferromagnetic and Hydrogen Evolution Reaction Applications.38265992 · Miao, Nanxi, Duan, Zhiyao, Wang, Shiyao et al.2024 · 58 citationsACS applied materials & interfaces. 2024;16(5):5792-5802
Machine Learning-Accelerated Discovery of A2BC2 Ternary Electrides with Diverse Anionic Electron Densities.37988742 · Wang, Zhiqi, Gong, Yutong, Evans, Matthew L et al.2023 · 55 citationsJournal of the American Chemical Society. 2023;145(48):26412-26424
Ammonia Synthesis on Ternary LaSi-based Electrides: Tuning the Catalytic Mechanism by the Third Metal.37584595 · Li, Hongchen, Gong, Yutong, Yang, Hongliang et al.2023 · 11 citationsChemSusChem. 2023;16(22):e202301016
Discovery of Two-dimensional Hexagonal MBene HfBO and Exploration on its Potential for Lithium-Ion Storage.37449563 · Miao, Nanxi, Gong, Yutong, Zhang, Huaiyu et al.2023 · 68 citationsAngewandte Chemie (International ed. in English). 2023;62(36):e202308436
Elucidating the exceptional halide ion etching of bimetallic Ag-Cu oxides for efficient adsorption and porous nanostructure formation.37060143 · Zhang, Meng, Liu, Fuzhu, Yang, Hongliang et al.2023 · 7 citationsMaterials horizons. 2023;10(7):2506-2515
First-principles structure prediction of two-dimensional HCN polymorphs obtained via formal molecular polymerization.37016969 · Zhang, Heng, Wang, Junjie, Guégan, Frédéric et al.2023 · 6 citationsNanoscale. 2023;15(16):7472-7481
Prediction of Two-Dimensional Group IV Nitrides AxNy (A = Sn, Ge, or Si): Diverse Stoichiometric Ratios, Ferromagnetism, and Auxetic Mechanical Property.36178176 · Zhang, Heng, Wang, Junjie, Guégan, Frédéric et al.2022 · 13 citationsThe journal of physical chemistry letters. 2022;13(40):9316-9325
Unique Conduction Band Minimum of Semiconductors Possessing a Zincblende-Type Framework.35762337 · Mizoguchi, Hiroshi, Park, Sang-Won, Katase, Takayoshi et al.2022 · 4 citationsInorganic chemistry. 2022;61(27):10359-10364
Mining Knowledge from Crystal Structures: Oxidation States of Oxygen-Coordinated Metal Atoms in Ionic and Coordination Compounds.35522594 · Shevchenko, Alexander P, Smolkov, Michail I, Wang, Junjie et al.2022 · 13 citationsJournal of chemical information and modeling. 2022;62(10):2332-2340
Unique Catalytic Mechanism for Ru-Loaded Ternary Intermetallic Electrides for Ammonia Synthesis.35507518 · Gong, Yutong, Li, Hongchen, Wu, Jiazhen et al.2022 · 107 citationsJournal of the American Chemical Society. 2022;144(19):8683-8692
Hexagonal MBene (Hf2BO2): A Promising Platform for the Electrocatalysis of Hydrogen Evolution Reaction.34793115 · Feng, Shuang, Miao, Nanxi, Wang, Junjie2021 · 66 citationsACS applied materials & interfaces. 2021;13(47):56131-56139
Phase diagram exploration of Tc-Al-B: from bulk Tc2AlB2 to two-dimensional Tc2B2.34570852 · Zhang, Heng, Wang, Junjie, Khazaei, Mohammad et al.2021 · 10 citationsPhysical chemistry chemical physics : PCCP. 2021;23(38):22086-22095
Prediction of allotropes of tellurium with molecular, one- and two-dimensional covalent nets for photofunctional applications.35480238 · Zhang, Heng, Wang, Junjie, Guégan, Frédéric et al.2024 · 8 citationsRSC advances. 2021;11(48):29965-29975
Electron-Deficient-Type Electride Ca5Pb3: Extension of Electride Chemical Space.34096289 · Li, Kun, Gong, Yutong, Wang, Junjie et al.2021 · 52 citationsJournal of the American Chemical Society. 2021;143(23):8821-8828
High-Pressure Phase Diagram of the Ti-O System.34086460 · Li, Kun, Wang, Junjie, Oganov, Artem R2021 · 14 citationsThe journal of physical chemistry letters. 2021;12(23):5486-5493
Correction: Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides.34019046 · Wang, Shiyao, Miao, Nanxi, Su, Kehe et al.2021 · 0 citationsNanoscale. 2021;13(21):9889
B5N3 and B7N5 Monolayers with High Carrier Mobility and Excellent Optical Performance.33999633 · Qi, Jingcheng, Wang, Shiyao, Wang, Junjie et al.2021 · 34 citationsThe journal of physical chemistry letters. 2021;12(20):4823-4832
Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides.33885686 · Wang, Shiyao, Miao, Nanxi, Su, Kehe et al.2021 · 55 citationsNanoscale. 2021;13(17):8254-8263
Exploring structural, electronic, and mechanical properties of 2D hexagonal MBenes.33682685 · Khaledialidusti, Rasoul, Khazaei, Mohammad, Wang, Vei et al.2021 · 77 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2021;33(15)
Discovery of stable and intrinsic antiferromagnetic iron oxyhalide monolayers.32409802 · Wang, Shiyao, Wang, Junjie, Khazaei, Mohammad2020 · 45 citationsPhysical chemistry chemical physics : PCCP. 2020;22(20):11731-11739
Novel MAB phases and insights into their exfoliation into 2D MBenes.31165851 · Khazaei, Mohammad, Wang, Junjie, Estili, Mehdi et al.2019 · 219 citationsNanoscale. 2019;11(23):11305-11314
Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB.31123253 · Wang, Junjie, Ye, Tian-Nan, Gong, Yutong et al.2023 · 345 citationsNature communications. 2019;10(1):2284
Computational Design of Flexible Electrides with Non-trivial Band Topology1811.11334v2 · Sheng-cai Zhu, Lei Wang, Jing-yu Qu et al.2018 · 29 citationsPhys. Rev. Materials 3, 024205 (2019)on Valency
Ternary Inorganic Electrides with mixed bonding1811.10682v2 · Junjie Wang, Qiang Zhu, Zhenhai Wang et al.2018 · 43 citationsPhys. Rev. B 99, 064104 (2019)on Valency
Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation.29023114 · Wang, Junjie, Hanzawa, Kota, Hiramatsu, Hidenori et al.2018 · 117 citationsJournal of the American Chemical Society. 2017;139(44):15668-15680
Tiered Electron Anions in Multiple Voids of LaScSi and Their Applications to Ammonia Synthesis.28758714 · Wu, Jiazhen, Gong, Yutong, Inoshita, Takeshi et al.2018 · 141 citationsAdvanced materials (Deerfield Beach, Fla.). 2017;29(36)
Sonication-assisted synthesis of semiconducting atomic crystals of germanium monoselenide: An isostructural and isoelectronic analog of black phosphorous1701.06285v2 · Yuting Ye, Qiangbing Guo, Xiaofeng Liu et al.2017 · 0 citationsarXiv
Surface-Plasmon-Enhanced Photodriven CO2 Reduction Catalyzed by Metal-Organic-Framework-Derived Iron Nanoparticles Encapsulated by Ultrathin Carbon Layers.27001900 · Zhang, Huabin, Wang, Tao, Wang, Junjie et al.2018 · 392 citationsAdvanced materials (Deerfield Beach, Fla.). 2016;28(19):3703-10
Photocatalytic water splitting under visible light by mixed-valence Sn(3)O(4).24611469 · Manikandan, Maidhily, Tanabe, Toyokazu, Li, Peng et al.2014 · 178 citationsACS applied materials & interfaces. 2014;6(6):3790-3
Surface relaxation and oxygen adsorption behavior of different SiC polytypes: a first-principles study.21386469 · Wang, Junjie, Zhang, Litong, Zeng, Qingfeng et al.2011 · 34 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2010;22(26):265003
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