XH
Xianfeng Hao
cond-mat.mtrl-scicond-mat.str-elelectrocatalysisMagneticsModels, Molecularperpendicular magnetic anisotropy2D/2D heterostructuresactive basal planeactive siteactive site self-assembly
On Valency
published · living versionsW_6hs6zc7g·v1 · currentpublished
A direct view at excess electrons in TiO rutile and anatase
with Martin Setvin, Cesare Franchini, Michael Schmid, Anderson Janotti +4
1 version
Preprints & journals
42 papers in the corpus · 2008–2026Electronic and Magnetic Properties of Nickel Oxychlorides with Tetragonal Crystal Structures.42474348 · Hao, Yaoyao, Du, Yixuan, Zhang, Huamei et al.2026 · 0 citationsInorganic chemistry. 2026;65(30):17569-17580
Identification of Sn5 Active Site on SnO2(110) for CO2 Electroreduction via Constant-Potential Method and Microkinetic Modeling.42212074 · Pang, Wenyu, Su, Hai-Yan, Wang, Jiarui et al.2026 · 1 citationJACS Au. 2026;6(5):2857-2870
Tuning Ferromagnetism and Perpendicular Magnetic Anisotropy in Manganite-Iridate Superlattices via Intralayer Coupling.41104846 · Liu, Jingchun, Cui, Rui, Chen, Hetian et al.2025 · 0 citationsNano letters. 2025;25(43):15509-15516
Topological Understanding of Luminescence in Eu2+-Doped Borate Phosphors.41081330 · Jin, Piaopiao, Zhang, Xingda, Zhai, Wenhui et al.2025 · 3 citationsInorganic chemistry. 2025;64(42):21227-21234
Magnetic properties and spin-orbit coupling-driven Jahn-Teller distortions in K2ReX6 (X = Cl, Br and I) with a half-filled 5d-t32g shell.40955528 · Du, Yixuan, Hao, Yaoyao, Hao, Xianfeng et al.2025 · 2 citationsPhysical chemistry chemical physics : PCCP. 2025;27(38):20699-20708
Topological Understanding of the Narrow Emission Band of β-Ca3(PO4)2:Eu2+-Type Phosphors: The Importance of Pinwheel Structural Units.40929285 · Zhang, Xingda, Huang, Xiaoyu, Jin, Piaopiao et al.2025 · 1 citationInorganic chemistry. 2025;64(37):18761-18769
Surface Reconstruction of High-Voltage LiNi0.5Mn1.5O4 Cathode via the Sculpture Method toward Enhanced Stability.39207026 · Li, Jintao, Luo, Zhenhao, Wang, Jing et al.2024 · 7 citationsACS applied materials & interfaces. 2024;16(36):47683-47694
Role of Dy 4felectrons on magnetic coupling and reorientation in DyFeO3.38729186 · Cui, Rui, Jiang, Hongping, Du, Yixuan et al.2025 · 4 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2024;36(33)
Pressure-induced structural and magnetic ordering transitions in the J1-J2 square lattice antiferromagnets AMoOPO4Cl (A = K, Rb).38425316 · Xu, Yuanhui, Cui, Rui, Jiang, Hongping et al.2024 · 0 citationsPhysical chemistry chemical physics : PCCP. 2024;26(11):8824-8833
Role of V-V dimerization on electronic and magnetic properties of ilmenite-type CoVO3.37669647 · Cui, Rui, Jiang, Hongping, Xu, Yuanhui et al.2025 · 1 citationJournal of physics. Condensed matter : an Institute of Physics journal. 2023;35(49)
Electronic and Magnetic Properties of Spin-Orbit-Entangled Honeycomb Lattice Iridates MIrO3 (M = Cd, Zn, and Mg).36095280 · Hao, Xianfeng, Jiang, Hongping, Cui, Rui et al.2022 · 3 citationsInorganic chemistry. 2022;61(38):15007-15015
Emergence of Insulating Ferrimagnetism and Perpendicular Magnetic Anisotropy in 3d-5d Perovskite Oxide Composite Films for Insulator Spintronics.35324157 · Ren, Zeliang, Lao, Bin, Zheng, Xuan et al.2022 · 18 citationsACS applied materials & interfaces. 2022;14(13):15407-15414
Electrodeposited Co-W-P ternary catalyst for hydrogen evolution reaction.34375970 · Li, Shimin, Bai, Lei, Shi, Haibiao et al.2021 · 7 citationsNanotechnology. 2021;32(50)
Cooperative control of perpendicular magnetic anisotropy via crystal structure and orientation in single-crystal flexible SrRuO3 membranes2109.02061v1 · Zengxing Lu, Yongjie Yang, Lijie Wen et al.2021 · 47 citationsarXiv
Lateral modulation of magnetic anisotropy in tricolor 3d-5d oxide superlattices2109.02062v1 · Zengxing Lu, Jingwu Liu, Lijie Wen et al.2021 · 7 citationsACS Applied Electronic Materials 3, 4210 (2021)
Magnetic Interactions in ZnMnO3: Active Role of Zn 3d10 Orbitals, in Comparison with MgMnO3.33121244 · Zhang, Xipeng, Wen, Lijie, Xu, Yuanhui et al.2020 · 10 citationsInorganic chemistry. 2020;59(22):16205-16214
Optimized electronic structure and p-band centre control engineering to enhance surface absorption and inherent conductivity for accelerated hydrogen evolution over a wide pH range.32578612 · Wang, Yuanzhe, Wang, Dong, Gao, Jiajia et al.2020 · 13 citationsPhysical chemistry chemical physics : PCCP. 2020;22(26):14537-14543
Optimizing Electron Densities of Ni-N-C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO2 Reduction.31880398 · Wang, Zhong-Li, Choi, Jaecheol, Xu, Mingquan et al.2020 · 100 citationsChemSusChem. 2020;13(5):929-937
Environmentally-Friendly Exfoliate and Active Site Self-Assembly: Thin 2D/2D Heterostructure Amorphous Nickel-Iron Alloy on 2D Materials for Efficient Oxygen Evolution Reaction.30941892 · Wang, Yuanzhe, Zhou, Yanyan, Han, Minze et al.2019 · 91 citationsSmall (Weinheim an der Bergstrasse, Germany). 2019;15(16):e1805435
Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide.30213926 · Riva, Michele, Kubicek, Markus, Hao, Xianfeng et al.2018 · 71 citationsNature communications. 2018;9(1):3710
Corrigendum: Comparative description of magnetic interactions in Sr2CuTeO6and Sr2CuWO6(2017J. Phys.: Condens. Matter29105801).29916823 · Xu, Yuanhui, Liu, Shanshan, Qu, Nianrui et al.2026 · 1 citationJournal of physics. Condensed matter : an Institute of Physics journal. 2018;30(29)
Spatially Confined Assembly of Monodisperse Ruthenium Nanoclusters in a Hierarchically Ordered Carbon Electrode for Efficient Hydrogen Evolution.29656420 · Wang, Zhong-Li, Sun, Keju, Henzie, Joel et al.2019 · 166 citationsAngewandte Chemie (International ed. in English). 2018;57(20):5848-5852
Vacancy clusters at domain boundaries and band bending at the SrTiO(110) surface1804.04466v1 · Zhiming Wang, Xianfeng Hao, Stefan Gerhold et al.2018 · 20 citationsPhys. Rev. B 90, 035436 (2014)
Fluorine- and Nitrogen-Codoped MoS2 with a Catalytically Active Basal Plane.28756659 · Wang, Yuanzhe, Liu, Shanshan, Hao, Xianfeng et al.2018 · 77 citationsACS applied materials & interfaces. 2017;9(33):27715-27719
Charge ordering and magnetic frustration in CsFe2F6.28653658 · Liu, Shanshan, Xu, Yuanhui, Cui, Yanli et al.2018 · 4 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2017;29(31):315501
Comparative description of magnetic interactions in Sr2CuTeO6 and Sr2CuWO6.28145278 · Xu, Yuanhui, Liu, Shanshan, Qu, Nianrui et al.2018 · 18 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2017;29(10):105801
Microscopic mechanistic study on the multiferroic of R2CoMnO6/La2CoMnO6 (R = Ce, Pr, Nd, Pm, Sm, Gd, Tb, Dy, Ho, Er, Tm) by chemical and hydrostatic pressures: a first-principles calculation.27506617 · Meng, Junling, Liu, Xiaojuan, Hao, Xianfeng et al.2018 · 14 citationsPhysical chemistry chemical physics : PCCP. 2016;18(34):23613-20
C and N Hybrid Coordination Derived Co-C-N Complex as a Highly Efficient Electrocatalyst for Hydrogen Evolution Reaction.26555852 · Wang, Zhong-Li, Hao, Xian-Feng, Jiang, Zheng et al.2016 · 413 citationsJournal of the American Chemical Society. 2015;137(48):15070-3
Direct view at excess electrons in TiO2 rutile and anatase.25192111 · Setvin, Martin, Franchini, Cesare, Hao, Xianfeng et al.2015 · 491 citationsPhysical review letters. 2014;113(8):086402
Coexistence of trapped and free excess electrons in SrTiO31408.2344v3 · Xianfeng Hao, Zhiming Wang, Michael Schmid et al.2014 · 109 citationsPhys. Rev. B 91, 085204 (2015)
Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface.25177410 · Wang, Zhiming, Hao, Xianfeng, Gerhold, Stefan et al.2024 · 18 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2014;118(34):19904-19909
Charge trapping at the step edges of TiO(2) anatase (101).24677419 · Setvin, Martin, Hao, Xianfeng, Daniel, Benjamin et al.2015 · 112 citationsAngewandte Chemie (International ed. in English). 2014;53(18):4714-6
Anisotropic two-dimensional electron gas at SrTiO3(110).24591596 · Wang, Zhiming, Zhong, Zhicheng, Hao, Xianfeng et al.2014 · 123 citationsProceedings of the National Academy of Sciences of the United States of America. 2014;111(11):3933-7
Water Adsorption at the Tetrahedral Titania Surface Layer of SrTiO3(110)-(4 × 1).24353755 · Wang, Zhiming, Hao, Xianfeng, Gerhold, Stefan et al.2024 · 46 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2013;117(49):26060-26069
Structural, electronic, and ferroelectric properties of compressed CdPbO3 polymorphs.23301906 · Xu, Yuanhui, Hao, Xianfeng, Franchini, Cesare et al.2013 · 16 citationsInorganic chemistry. 2013;52(2):1032-9
Exceptionally large room-temperature ferroelectric polarization in the novel PbNiO3 multiferroic oxide1206.2761v1 · X.F. Hao, A. Stroppa, S. Picozzi et al.2012 · 44 citationsarXiv
First-principles study on the electronic structure and magnetism of layered oxyselenide La2Mn2Se2O3.22569174 · Xu, Yuanhui, Gao, Faming, Hao, Xianfeng et al.2012 · 0 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2012;24(23):236003
Electronic and elastic properties of new semiconducting oP(12)-type RuB(2) and OsB(2).21386373 · Hao, Xianfeng, Xu, Yuanhui, Gao, Faming2011 · 13 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2011;23(12):125501
Electronic and magnetic properties of the monoclinic phase BiCrO(3) from first-principles studies.21825603 · Xu, Yuanhui, Hao, Xianfeng, Meng, Jian et al.2012 · 10 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2009;21(23):236006
Density functional theory study of hexagonal carbon phases.21825582 · Wang, Zhibin, Gao, Faming, Li, Na et al.2012 · 14 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2009;21(23):235401
Magnetic structure and orbital ordering in tetragonal and monoclinic KCrF(3) from first-principles calculations.18447493 · Xu, Yuanhui, Hao, Xianfeng, Lv, Minfeng et al.2008 · 14 citationsThe Journal of chemical physics. 2008;128(16):164721
Charge, orbital, and magnetic ordering in YBaFe2O5 from first-principles calculations.18410093 · Hao, Xianfeng, Xu, Yuanhui, Lv, Minfeng et al.2008 · 7 citationsInorganic chemistry. 2008;47(11):4734-9
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