学者信息

曹昕睿 (XinRui Cao)

物理科学与技术学院

合作者

已发表成果:

WOK 论文 64 篇;中文核心 6 篇;

  • Strain effects on the lattice thermal conductivity of monolayer CrOCl: A first-principles study

    Materials Today Communications,,2024-03.
    Yu, Ben-Yu; Sun, Yang; Cao, Xinrui; Zhu, Zi-Zhong; Wu, Shunqing; Lu, Tie-Yu
    WOS:001128488400001   EI:20234915153561   10.1016/j.mtcomm.2023.107665
    收录情况:SCIE、EI
  • SiFeN<sub>6</sub>-graphene: A promising dual-atom catalyst for enhanced CO<sub>2</sub>-to-CH<sub>4</sub> conversion

    Applied Surface Science,0169-4332,2024-01-15.
    Wang, Meijie; Xiang, Yaowei; Chen, Wengeng; Wu, Shunqing; Zhu, Zi-Zhong; Cao, Xinrui
    WOS:001098681000001   EI:20234314959837   10.1016/j.apsusc.2023.158724
    收录情况:SCIE、EI
  • Exploring High-Valence Element Doping in Llzo Electrolytes: Effects on Phase Transition and Lithium-Ion Conductivity

    SSRN,1556-5068,2024-01-12.
    You, Yiwei (1); Zhang, Dexin (1); Cao, Xinrui (1); Lü, Tie-Yu (1); Zhu, Zi-Zhong (1); Wu, Shunqing ...
    EI:20240035950   10.2139/ssrn.4693272
    收录情况:EI
  • Effect of boron content on the electrochemical properties of layered Li<sub>x</sub>(B<sub>y</sub>C<sub>1-y</sub>)<sub>2</sub> anodes with 5-, 6-, and 8-membered-ring structure

    Computational Materials Science,0927-0256,2024-01-05.
    Peng, Fanglin; Zheng, Feng; Fang, Yimei; Lu, Tie-Yu; Cao, Xinrui; Zhu, Zi-Zhong; Wu, Shunqing
    WOS:001099834100001   EI:20234314951051   10.1016/j.commatsci.2023.112595
    收录情况:SCIE、EI
  • First-Principles Insight into the Impact of Oxygen Substitution in Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>F<sub>3</sub> Cathodes on the Structural Evolution, Redox Mechanism, and Na-Ion Migration

    JOURNAL OF PHYSICAL CHEMISTRY C,1932-7447,2023-12-22.
    Chen, Yiheng; You, Yiwei; Cao, Xinrui; Lu'', Tie-Yu; Zhu, Zi-Zhong; Wu, Shunqing
    WOS:001141709100001   EI:20240215344735   10.1021/acs.jpcc.3c06377
    收录情况:SCIE、EI
  • NiB monolayer: A topological metal with high NORR electrocatalytic perfomance

    Applied Surface Science,0169-4332,2023-11-15.
    Chen, Wengeng; Xiang, Yaowei; Wu, Zepeng; Wang, Meijie; Fang, Yimei; Zhu, Zi-Zhong; Wu, Shunqing; C...
    WOS:001037845000001   EI:20232914422112   10.1016/j.apsusc.2023.157887
    收录情况:SCIE、EI
  • Sifen6-Graphene: A Promising Dual-Atom Catalyst for Enhanced Co2-to-CH4 Conversion

    SSRN,1556-5068,2023-09-13.
    Wang, Meijie (1); Xiang, Yaowei (1); Chen, Wengeng (1); Zhu, Zi-Zhong (1); Wu, Shunqing (1); Cao, X...
    EI:20230317376   10.2139/ssrn.4570398
    收录情况:EI
  • Room-temperature ferromagnetic half metal in (C, Mn) co-doped orthorhombic ZnO with large magneto-crystalline anisotropy energy

    Journal of Physics D: Applied Physics,0022-3727,2023-08-24.
    Zhang, Ruotong; Fang, Yimei; Lu, Tie-Yu; Cao, Xinrui; Zhou, Yinghui; Zhu, Zi-Zhong; Wu, Shunqing
    WOS:000994011400001   EI:20232214164884   10.1088/1361-6463/accfa5
    收录情况:SCIE、EI
  • Si-Doped Nitrogenated Holey Graphene (C<sub>2</sub>N) as a Promising Gas Sensor for O-Containing Volatile Organic Compounds (VOCs) and Ammonia

    CRYSTALS,,2023-05-14.
    Liu, Yang; Ye, Chenxiao; Zhao, Hengxin; Lin, Kexin; Cao, Xinrui; Ai, Yuejie
    WOS:000997087900001   10.3390/cryst13050816
    收录情况:SCIE
  • Selective Oxidation of CH<sub>4</sub> to CH<sub>3</sub>OH by Transition-Metal Single-Atom-Embedded N-Doped Graphene Catalysts with Oxidants N<sub>2</sub>O and O<sub>2</sub>: Oxygen Adsorption Energy as an Activity Descriptor

    JOURNAL OF PHYSICAL CHEMISTRY C,1932-7447,2023-03-30.
    Ma, Denghui; Cao, Xinrui; Cao, Zexing
    WOS:000963555000001   EI:20231213780449   10.1021/acs.jpcc.3c00549
    收录情况:SCIE、EI
  • Hydrogenated Si-doped g-C3N4: Promising electrocatalyst for CO2 capture and conversion

    Applied Surface Science,0169-4332,2023-03-30.
    Liu, Yang; Li, Jinmeng; Cao, Xinrui; Wei, Xin; Cao, Jingyuan; Lin, Kexin; Zhou, Yueying; Ai, Yuejie
    WOS:000911360700001   EI:20225313321886   10.1016/j.apsusc.2022.156195
    收录情况:SCIE、EI
  • Selective Oxidation of CH4 to CH3OH by Transition-Metal Single-Atom-Embedded N-Doped Graphene Catalysts with Oxidants N2O and O2: Oxygen Adsorption Energy as an Activity Descriptor

    JOURNAL OF PHYSICAL CHEMISTRY C,1932-7447,2023-03-17.
    Ma, Denghui; Cao, Xinrui; Cao, Zexing
    WOS:001024018500001   10.1021/acs.jpcc.3c005495800J
    收录情况:SCIE
  • Selective spin injection of g-SiC6 monolayer for dioxygen activation

    Applied Surface Science,0169-4332,2023-03-15.
    Cao, Xinrui; Xiang, Yaowei; Wu, Shunqing; Zhu, Zi-Zhong; Li, Xiao-Fei
    WOS:000901488300007   EI:20225013239206   10.1016/j.apsusc.2022.155911
    收录情况:SCIE、EI
  • <i>Cmc</i>2<sub>1</sub>-CdO: Emerging direct band gap semiconductor with ultrahigh mobility and enhanced visible-light optical absorptions

    Physica B: Condensed Matter,0921-4526,2023-03-01.
    Zhang, Ruotong; Wu, Fulun; Lu, Tie-Yu; Fang, Yimei; Cao, Xinrui; Zhou, Yinghui; Zhu, Zi-Zhong; Wu, ...
    WOS:000992427100001   EI:20230213366122   10.1016/j.physb.2023.414645
    收录情况:SCIE、EI
  • Exploiting the Momentum Distribution in Atomically Confined Plasmonic Fields by Inelastic Scatterings

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS,1948-7185,2023-01.
    Xie, Zhen; Cao, Xin-Rui; Wang, Li; Yu, Hai-Zhen; Wang, Chuan-Kui; Tian, Guangjun; Luo, Yi; Duan, Sai
    WOS:000911435200001   EI:20230313387799   10.1021/acs.jpclett.2c03650
    收录情况:SCIE、EI
  • Chemical Bonding and Activity of Atomically Dispersed Silicon in Two- and Three-Dimensional Materials

    Journal of Physical Chemistry Letters,1948-7185,2023.
    Fang, Lei; Cao, Xinrui; Cao, Zexing
    WOS:001142957100001   EI:20235115248626   10.1021/acs.jpclett.3c02989
    收录情况:SCIE、EI
  • High-density Fe single atoms anchored on D-2-Fe2C12 monolayer materials for N2 reduction to NH3 with high activity and selectivity

    Applied Surface Science,0169-4332,2022-11-15.
    Xiang, Yaowei; Li, Lei; Li, Yameng; Zhu, Zi-Zhong; Wu, Shunqing; Cao, Xinrui
    WOS:000859952500001   EI:20223112468874   10.1016/j.apsusc.2022.154380
    收录情况:SCIE、EI
  • Deep learning interatomic potential for Ca-O system at high pressure

    PHYSICAL REVIEW MATERIALS,2475-9953,2022-10-28.
    Wu, Fulun; Zheng, Feng; He, Weibo; Cao, Xinrui; Lu, Tie -Yu; Zhu, Zi-Zhong; Wu, Shunqing
    WOS:000879928500003   EI:20224613102587   10.1103/PhysRevMaterials.6.103802
    收录情况:SCIE、EI
  • Hydrogenated Si-Doped G-C3n4: Promising Electrocatalyst for Co2 Capture and Conversion

    SSRN,1556-5068,2022-10-27.
    Liu, Yang (1); Cao, Xinrui (2); Xin, Wei (1); Cao, Jingyuan (1); Kexin, Lin (1); Yueying, Zhou (1);...
    EI:20220412674  
    收录情况:EI
  • Selective Spin Injection of G-Sic6 Monolayer for Dioxygen Activation

    SSRN,1556-5068,2022-09-29.
    Cao, Xinrui (1, 2); Xiang, Yaowei (1); Wu, Shunqing (1); Zhu, Zi-Zhong (1); Li, Xiao-Fei (3)
    EI:20220369725  
    收录情况:EI
  • Formation of oxygen vacancies in Li-rich Mn-based cathode material Li1.167Ni0.167Co0.167Mn0.5O2

    Wuli Xuebao/Acta Physica Sinica,1000-3290,2022-09-05.
    Shi Xiao-Hong; Chen Jing-Jin; Cao Xin-Rui; Wu Shun-Qing; Zhu Zi-Zhong
    WOS:000881659000039   EI:20224112856879   10.7498/aps.71.20220274
    收录情况:SCIE、EI
  • High-efficiency and selective capture of nitric oxide by fluorine-modified carbon nitride: A DFT investigation

    Applied Surface Science,0169-4332,2022-08-15.
    Liu, Yang; Cao, Xinrui; Zhang, Shu; Cao, Jingyuan; Zhang, Anrui; Zhang, Sai; Su, Peifeng; Ai, Yuejie
    WOS:000796328200001   EI:20221611992547   10.1016/j.apsusc.2022.153353
    收录情况:SCIE、EI
  • First-principles study of direct band gap semiconductors XS2 (X = Zr and Hf) with orthorhombic symmetry

    JOURNAL OF PHYSICS D-APPLIED PHYSICS,0022-3727,2022-07-21.
    Zhang, Ruotong; Fang, Yimei; Wu, Fulun; Cao, Xinrui; Zhou, Yinghui; Zhu, Zi-Zhong; Wu, Shunqing
    WOS:000792468300001   EI:20222112144988   10.1088/1361-6463/ac6401
    收录情况:SCIE、EI
  • Monolayer MSi2P4 (M = V, Nb, and Ta) as Highly Efficient Sulfur Host Materials for Lithium-Sulfur Batteries

    ACS APPLIED MATERIALS & INTERFACES,1944-8244,2022-06-22.
    Wang, Y. P.; Li, Z. S.; Cao, X. R.; Wu, S. Q.; Zhu, Z. Z.
    WOS:000815804800001   EI:20222712324636   10.1021/acsami.2c04482
    收录情况:SCIE、EI
  • Charge Compensation Mechanisms and Oxygen Vacancy Formations in LiNi1/3Co1/3Mn1/3O2: First-Principles Calculations

    ACS OMEGA,2470-1343,2022-05-03.
    Shi, Xiao-Hong; Wang, Ya-Ping; Cao, Xinrui; Wu, Shunqing; Hou, Zhufeng; Zhu, Zizhong
    WOS:000813299000001   10.1021/acsomega.2c00375
    收录情况:SCIE
  • Quantum spin Hall effect in tilted penta silicene and its isoelectronic substitutions

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076,2022-05.
    Zhan, Lijin; Fang, Yimei; Zhang, Ruotong; Lu, Xiancong; Lu, Tie-yu; Cao, Xinrui; Zhu, Zizhong; Wu, ...
    WOS:000800118200001   EI:20222312197629   10.1039/d2cp01390h
    收录情况:SCIE、EI
  • High-Density Fe Single Atoms Anchored on 2d-Fe2c12 Monolayer Materials for N2 Reduction to Nh3 with High Activity and Selectivity

    SSRN,1556-5068,2022-04-18.
    Xiang, Yaowei (1); Li, Lei (1); Li, Yameng (1); Zhu, Zi-Zhong (1); Wu, Shunqing (1); Cao, Xinrui (1...
    EI:20220082786  
    收录情况:EI
  • Exploring Highly Efficient Dual-Metal-Site Electrocatalysts for Oxygen Reduction Reaction by First Principles Screening

    JOURNAL OF THE ELECTROCHEMICAL SOCIETY,0013-4651,2022-02-01.
    Li, Lei; Li, Yameng; Zhao, Tao; Huang, Rao; Cao, Xinrui; Fan, Tiane; Wen, Yuhua
    WOS:000759836300001   EI:20221011754158   10.1149/1945-7111/ac527d
    收录情况:SCIE、EI
  • Sn-Doped Black Phosphorene for Enhancing the Selectivity of Nitrogen Electroreduction to Ammonia

    ADVANCED FUNCTIONAL MATERIALS,1616-301X,2022-02.
    Liu, Honghong; Cao, Xinrui; Ding, Liang-Xin; Wang, Haihui
    WOS:000750948800001   EI:20220711632646   10.1002/adfm.202111161
    收录情况:SCIE、EI
  • Structural Evolution, Redox Mechanism, and Ionic Diffusion in Rhombohedral Na2FeFe(CN)(6) for Sodium-Ion Batteries: First-Principles Calculations

    JOURNAL OF THE ELECTROCHEMICAL SOCIETY,0013-4651,2022-01-01.
    Wang, Y. P.; Hou, B. P.; Cao, X. R.; Wu, S. Q.; Zhu, Z. Z.
    WOS:000745543600001   EI:20220611608849   10.1149/1945-7111/ac49cf
    收录情况:SCIE、EI
  • Unraveling the Catalytic Performance of the Nonprecious Metal Single-Atom-Embedded Graphitic s-Triazine-Based C3N4 for CO2 Hydrogenation

    ACS Applied Materials and Interfaces,1944-8244,2022.
    Zhang, Yue; Cao, Xinrui; Cao, Zexing
    WOS:000879031500001   EI:20223412607636   10.1021/acsami.2c09813
    收录情况:SCIE、EI
  • Electronic structures and defect properties of lithium-rich manganese-based ternary material Li1.208Ni0.333Co0.042Mn0.417O2

    Wuli Xuebao/Acta Physica Sinica,1000-3290,2021-10-20.
    Huang Wen-Jun; Wang Ya-Ping; Cao Xin-Rui; Wu Shun-Qing; Zhu Zi-Zhong
    WOS:000710189000040   EI:20214311065762   10.7498/aps.70.20210398
    收录情况:SCIE、EI
  • First-Principles Observation of Bonded 2D B4C3 Bilayers

    ACS OMEGA,2470-1343,2021-05-25.
    Shen, Jiacai; Zheng, Feng; Wang, Shaoxian; Zhu, Zi-Zhong; Wu, Shunqing; Li, Xiao-Fei; Cao, Xinrui; ...
    WOS:000656920100027   10.1021/acsomega.1c01073
    收录情况:SCIE
  • Strain modulated quantum spin Hall effect in monolayer NiB

    Applied Physics Letters,0003-6951,2021-05-03.
    Yu, Qiaolin; Fang, Yimei; Cao, Xinrui; Wu, Shunqing; Zhu, Zi-zhong
    WOS:000646352200010   EI:20211910322991   10.1063/5.0048423
    收录情况:SCIE、EI
  • Single Mn Atom Anchored on Nitrogen-Doped Graphene as a Highly Efficient Electrocatalyst for Oxygen Reduction Reaction

    CHEMISTRY-A EUROPEAN JOURNAL,0947-6539,2021.
    Li, Lei; Li, Yameng; Huang, Rao; Cao, Xinrui; Wen, Yuhua
    WOS:000651476300001   EI:20212010364494   10.1002/chem.202101020
    收录情况:SCIE、EI
  • Tunable Electric and Magnetic Properties of Transition Metal@NxCy-Graphene Materials by Different Metal and Defect Types

    Chemistry - An Asian Journal,1861-4728,2021.
    Zhang, Fengxiang; Liu, Haixia; Tao, Furong; Wang, Xijun; Cao, Xinrui; Hu, Wei
    WOS:000692662300001   EI:20213610857889   10.1002/asia.202100752
    收录情况:SCIE、EI
  • Boosting the Electrocatalytic Activity of Fe-Co Dual-Atom Catalysts for Oxygen Reduction Reaction by Ligand-Modification Engineering

    CHEMCATCHEM,1867-3880,2021.
    Li, Lei; Li, Yameng; Huang, Rao; Cao, Xinrui; Wen, Yuhua
    WOS:000695876900001   EI:20213810901298   10.1002/cctc.202100989
    收录情况:SCIE、EI
  • Computational screening of efficient graphene-supported transition metal single atom catalysts toward the oxygen reduction reaction

    JOURNAL OF MATERIALS CHEMISTRY A,2050-7488,2020-10-07.
    Li, Lei; Huang, Rao; Cao, Xinrui; Wen, Yuhua
    WOS:000573889000011   EI:20204109336724   10.1039/d0ta06892f
    收录情况:SCIE、EI
  • Tackling the Inertness of CO2: Facile Activation and Electroreduction on the Metal-Free SiN4C4 Monolayer Sheet

    Journal of Physical Chemistry C,1932-7447,2020-08-27.
    Fang, Lei; Zhang, Caiyun; Cao, Xinrui; Cao, Zexing
    WOS:000566481000027   EI:20204309394075   10.1021/acs.jpcc.0c06076
    收录情况:SCIE、EI
  • Ab initio calculations on the electronic structures and electrochemical properties of LiVO2 and NaVO2

    Journal of Solid State Chemistry,0022-4596,2020-08.
    Wu, Lei; Cao, Xin-Rui; Wu, Shun-Qing; Yang, Yong; Zhu, Zi-Zhong
    WOS:000541926600001   EI:20201808590832   10.1016/j.jssc.2020.121383
    收录情况:SCIE、EI
  • Interface Magnetism in Topological Armchair/Cove-Edged Graphene Nanoribbons

    Journal of Physical Chemistry C,1932-7447,2020-07-16.
    Liu, Dong-Xue (1); Li, Xiao-Fei (1, 2); Zhang, Xiang-Hua (1, 3); Cao, Xinrui (4); Zhu, Xiao-Jun (5)...
    EI:20203309047892   10.1021/acs.jpcc.0c04152
    收录情况:EI
  • Rational integration of spatial confinement and polysulfide conversion catalysts for high sulfur loading lithium-sulfur batteries

    Nanoscale Horizons,2055-6756,2020-04.
    Zhang, Qingfei; Qiao, Zhensong; Cao, Xinrui; Qu, Baihua; Yuan, Jin; Fan, Tian-E; Zheng, Hongfei; Cu...
    WOS:000527781900009   EI:20201508390948   10.1039/c9nh00663j
    收录情况:SCIE、EI
  • Spin Polarization-Induced Facile Dioxygen Activation in Boron-Doped Graphitic Carbon Nitride

    ACS Applied Materials and Interfaces,1944-8244,2020.
    Cao, Xinrui; Shen, Jiacai; Li, Xiao-Fei; Luo, Yi
    WOS:000595547400047   EI:20204809549127   10.1021/acsami.0c16216
    收录情况:SCIE、EI
  • Perfect spin-filtering in p-aminophenol functionalized zigzag graphene nanoribbons: The role of sp(3) hybridized nitrogen

    PHYSICS LETTERS A,0375-9601,2019-06-16.
    Jia, ZA; Li, XF; Cao, XR; Zhang, XH; Wang, ZY
    WOS:000469892300018   EI:20202208740262   10.1016/j.physleta.2019.04.015
    收录情况:SCIE、EI
  • Covalent organic framework with high capacity for the lithium ion battery anode: insight into intercalation of Li from first-principles calculations

    JOURNAL OF PHYSICS-CONDENSED MATTER,0953-8984,2019-05-22.
    Fang, L; Cao, XR; Cao, ZX
    WOS:000461516700001   EI:20191906882710   10.1088/1361-648X/ab087e
    收录情况:SCIE、EI
  • Tunable Single-Photon Emission by Defective Boron-Nitride Nanotubes for High-Precision Force Detection

    JOURNAL OF PHYSICAL CHEMISTRY C,1932-7447,2019-04-11.
    Hu, W; Cao, XR; Zhang, YJ; Li, TD; Jiang, J; Luo, Y
    WOS:000464768600129   EI:20191606804151   10.1021/acs.jpcc.9b01651
    收录情况:SCIE、EI
  • MoS2 nanoflower supported Pt nanoparticle as an efficient electrocatalyst for ethanol oxidation reaction

    International Journal of Hydrogen Energy,0360-3199,2019.
    Wang, Jiangli (1); Cao, Xinrui (2); Fang, Lei (3); You, Xueqiu (1); Wong, Kester (4); Cao, Shuohui ...
    WOS:000472991100035   EI:20192106954453   10.1016/j.ijhydene.2019.04.251
    收录情况:SCIE、EI
  • Family-dependent magnetism in atomic boron adsorbed armchair graphene nanoribbons

    Journal of Materials Chemistry C,2050-7534,2019.
    Yan, Wei-Wei (1); Li, Xiao-Fei (1); Zhang, Xiang-Hua (1, 2); Cao, Xinrui (3); Deng, Mingsen (4)
    WOS:000470700000006   EI:20192307002812   10.1039/c9tc00186g
    收录情况:SCIE、EI
  • Ultrahigh conductivity of graphene nanoribbons doped with ordered nitrogen

    Nanoscale Advances,,2019.
    Li, Xiao-Fei (1); Yan, Wei-Wei (1); Rao, Jia-Rui (1); Liu, Dong-Xue (1); Zhang, Xiang-Hua (1, 2); C...
    EI:20202008672841   10.1039/c9na00458k
    收录情况:EI
  • Insights into the adsorption mechanism and dynamic behavior of tetracycline antibiotics on reduced graphene oxide (RGO) and graphene oxide (GO) materials

    Environmental Science: Nano,2051-8153,2019.
    Ai, Yuejie (1); Liu, Yang (1); Huo, Yingzhong (1); Zhao, Chaofeng (1); Sun, Lu (2); Han, Bing (1); ...
    WOS:000496482700009   EI:20194607692425   10.1039/c9en00866g
    收录情况:SCIE、EI
  • Improving the Oxygen Reduction Reaction Activity of FeN4-Graphene via Tuning Electronic Characteristics

    ACS Applied Energy Materials,,2019.
    Wu, Lei (1); Cao, Xinrui (1, 2); Hu, Wei (3); Ji, Yongfei (4); Zhu, Zi-Zhong (1); Li, Xiao-Fei (5)
    EI:20194107505903   10.1021/acsaem.9b01164
    收录情况:EI
  • Silicene adsorption on the bismuth-passivated Si(111)3×3 surface: A first-principles study

    Materials Chemistry and Physics,0254-0584,2018-09-01.
    Xu, Y.X. (1); Cao, X.R. (1, 2); Xu, L.H. (1); Zheng, F. (1); Wu, S.Q. (1); Zhu, Z.Z. (1, 2)
    WOS:000441492000002   EI:20182705404684   10.1016/j.matchemphys.2018.05.064
    收录情况:SCIE、EI
  • Stabilization of planar tetra-coordinate silicon in a 2D-layered extended system and design of a high-capacity anode material for Li-ion batteries

    Nanoscale,2040-3364,2018-06-14.
    Sun, Ming-Jun (1); Cao, Xinrui (2); Cao, Zexing (1)
    WOS:000434692000019   EI:20182405307176   10.1039/c8nr03566k
    收录情况:SCIE、EI
  • Monitoring Reaction Paths Using Vibrational Spectroscopies: The Case of the Dehydrogenation of Propane toward Propylene on Pd-Doped Cu(111) Surface

    MOLECULES,1420-3049,2018-01.
    Hu, Wei; Cao, Xinrui
    WOS:000425082500120   10.3390/molecules23010126
    收录情况:SCIE
  • Mechanical and Optical Properties of a Novel Diamond-Like Si(C equivalent to C-C6H4-C equivalent to C)(4) Single-Crystalline Semiconductor: a First-Principles Study

    ACTA PHYSICO-CHIMICA SINICA,1000-6818,2018 .
    Fang Lei; Sun Mingjun; Cao Xinrui; Cao Zexing
    WOS:000423696400013   10.3866/PKU.WHXB201708241
    收录情况:SCIE
  • Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface

    Nanoscale Research Letters,1931-7573,2018.
    Xu, Yi-Xu (1); Cao, Xin-Rui (1, 2); Xu, Lin-Han (1); Zhang, Jian-Hua (3); Wu, Shun-Qing (1); Zhu, Z...
    WOS:000438612100003   EI:20182805542088   10.1186/s11671-018-2605-3
    收录情况:SCIE、EI
  • Tunable Electronic and Magnetic Properties of Graphene-Embedded Transition Metal-N4 Complexes: Insight From First-Principles Calculations

    Chemistry - An Asian Journal,1861-4728,2018.
    Cao, Xinrui (1); Li, Xiao-Fei (2); Hu, Wei (3)
    WOS:000449792900018   EI:20184105925338   10.1002/asia.201801052
    收录情况:SCIE、EI
  • Ammonia Electrosynthesis with High Selectivity under Ambient Conditions via a Li+ Incorporation Strategy

    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,0002-7863,2017-07-26.
    Chen, Gao-Feng; Cao, Xinrui; Wu, Shunqing; Zeng, Xingye; Ding, Liang-Xin; Zhu, Min; Wang, Haihui
    WOS:000406649600006   EI:20173104001047   10.1021/jacs.7b04393
    收录情况:SCIE、EI
  • Superlight and Superflexible Three-Dimensional Semiconductor Frameworks A(X equivalent to Y)(4) ( A = Si, Ge; X/Y = C, B, N) with Tunable Optoelectronic and Mechanical Properties from First-Principles

    CHEMISTRY-AN ASIAN JOURNAL,1861-4728,2017-04-04.
    Cao, Xinrui; Li, Xiao-Fei; Zhu, Zi-Zhong
    WOS:000399689600012   10.1002/asia.201700064
    收录情况:SCIE
  • Semiconductive Copper(I)-Organic Frameworks for Efficient Light-Driven Hydrogen Generation Without Additional Photosensitizers and Cocatalysts

    Angewandte Chemie - International Edition,1433-7851,2017.
    Shi, Dongying(1); Zheng, Rui(3); Sun, Ming-Jun(2); Cao, Xinrui(2); Sun, Chun-Xiao(1); Cui, Chao-Jie...
    WOS:000414764600054   EI:20174304286509   10.1002/anie.201709869
    收录情况:SCIE、EI
  • Si(C~C)4-Based Single-Crystalline Semiconductor: Diamond-like Superlight and Superflexible Wide-Bandgap Material for the UV Photoconductive Device

    ACS Applied Materials and Interfaces,1944-8244,2016-07-06.
    Sun, Ming-Jun(1); Cao, Xinrui(2); Cao, Zexing(1)
    WOS:000379456000003   EI:20162802591096   10.1021/acsami.6b05502
    收录情况:SCIE、EI
  • The O, OH and OOH-assisted selective coupling of methanol on Au-Ag(111)

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076,2016-04-21.
    Zhong, Wenhui; Liang, Jinxia; Hu, Wei; Cao, Xinrui; Jia, Chuanyi; Jiang, Jun
    WOS:000374350600014   10.1039/c6cp00336b
    收录情况:SCIE
  • Insight into mechanism and selectivity of propane dehydrogenation over the Pd-doped Cu(111) surface

    RSC Advances,2046-2069,2016.
    Cao, Xinrui(1,2)
    WOS:000379577800029   EI:20163002628589   10.1039/c6ra15038a
    收录情况:SCIE、EI
  • Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric field

    RSC ADVANCES,2046-2069,2015.
    Wu, Weihua; Tang, Shaobin; Gu, Junjing; Cao, Xinrui
    WOS:000365328000051   EI:20154901633976   10.1039/c5ra18114c
    收录情况:SCIE、EI
  • 富锂锰基三元材料Li1.167Ni0.167Co0.167Mn0.5O2中的氧空位形成

    物理学报,1000-3290,2022-09-05.
    史晓红;陈京金;曹昕睿;吴顺情;朱梓忠
    CSCD核心
  • 富锂锰基三元材料Li1.167Ni0.167Co0.167Mn0.5O2中的氧空位形成:第一性原理计算

    物理学报,1000-3290,2022-05-25.
    史晓红;陈京金;曹昕睿;吴顺情;朱梓忠
    CSCD核心
  • Li3N与Na3P的物理性质的对比研究

    厦门大学学报(自然科学版),0438-0479,2022-03-28.
    祁美红;张小锋;曹昕睿;吴顺情;朱梓忠
    CSCD扩展
  • 富锂锰基三元材料Li1.208Ni0.333Co0.042Mn0.417O2的电子结构和缺陷性质

    物理学报,1000-3290,2021-06-29.
    黄文军;王亚平;曹昕睿;吴顺情;朱梓忠
    CSCD核心
  • 类单晶硅结构Si(C≡C―C6H4―C≡C)4新材料的力学与光学性质:第一性原理研究

    物理化学学报,1000-6818,2018-3-15.
    方磊;孙铭骏;曹昕睿;曹泽星
    CSCD核心
  • 类单晶硅结构Si(C≡C―C<sub>6</sub>H<sub>4</sub>―C≡C)<sub>4</sub>新材料的力学与光学性质:第一性原理研究

    物理化学学报,1000-6818,2018.
    方磊;孙铭骏;曹昕睿;曹泽星
    CSCD核心