1. ZnO monolayer supported single atom catalysts for efficient nitrogen electroreduction to ammonia
    Yuan, Saifei; Ren, Hao,* Men, Guodong; Zhao, Wen; Zhu, Houyu; and Guo, Wenyue* Appl. Surf. Sci. 2021, in press.
  2. Structural insights of catalytic intermediates in dialumene based CO2 capture: Evidences from theoretical resonance Raman spectra
    Tian, Baoling; Li, Shujuan; Lie, Shulai;* Lin, Liangxu; Guo, Wenyue; and Ren, Hao* Chin. Chem. Lett. 2021, in press.
  3. High-performance aluminum-polyaniline battery based on the interaction between aluminum ion and -NH groups
    Wang, Dandan; Hu, Haoyu; Liao, Yifei; Kong, Dongqing; Cai, Tonghui; Gao, Xiuli; Hu, Han; Wu, Mingbo; Xue, Qingzhong; Yan, Zifeng; Ren, Hao* and Xing, Wei* Sci. Chin. Mater. 2021, 64, 318.
  4. Lithium and Sodium Adsorption on Monolayer Tellurene
    Zou, Fan; Xu, Tao; Wu, Zhensheng;* Li, Zhongtao; Guo, Wenyue; Wang, Yi; and Ren, Hao* J. Phys. Chem. C 2020, 124, 28047.
  5. Density Functional Theory Study of Thiophene Desulfurization and Conversion of Desulfurization Product on Ni(111) Surface and Ni55 Cluster: Implication for the Mechanism of Reactive Adsorption Desulfurization over Ni/ZnO Catalysts
    Zhu, Houyu;* Li, Xin; Shi, Naiyou; Ding, Xuefei; Yu, Zehua; Zhao, Wen; Ren, Hao; Pan, Yuan; Liu, Yunqi; and Guo, Wenyue* Catal. Sci. Technol. 2021, 10, 4080.
  6. First principles study of ferroelectric hexagonal compounds RInO3 (R = Dy, Er, and Ho): electronic structure, optical and dielectric properties
    Yu, Yifei; Lin, Na;* Wang, Haoyuan; Xu, Ran; Ren, Hao; and Zhao, Xian* RSC Adv. 2020, 10, 4080.
  7. Temperature-Mediated Engineering of Graphdiyne Framework Enabling High-Performance Potassium Storage
    Yi, Yuyang; Li, Jiaqiang; Zhao, Wen; Zeng, Zhihan; Lu, Chen; Ren, Hao; Sun, Jingyu;* Zhang, Jin;* and Liu, Zhongfan* Adv. Funct. Mater. 2020, 30, 2003039.
  8. Controllable Substitution of S Radicals on Triazine Covalent Framework to Expedite Degradation of Polysulfides
    Yan, Yingchun; Chen, Zhou; Yang, Jun; Guan, Lu; Hu, Han; Zhao, Qingshan; Ren, Hao; Lin, Yan; Li, Zhongtao;* and Wu, Mingbo* Small 2020, 16, 2004631.
  9. High performance aluminum ion battery using polyaniline/ordered mesoporous carbon composite
    Liao, Yifei; Wang, Dandan; Li, Xuejin; Tian, Shuang; Hu, Haoyu; Kong, Dongqing; Cai, Tonghui; Dai, Pengcheng; Ren, Hao; Hu, Han; Li, Yanpeng; Xue, Qingzhong; Yan, Zifeng; Gao, Xiuli;* and Xing, Wei* J. Power Sources 2020, 477, 228702.
  10. β‑Hydrogen of Polythiophene Induced Aluminum Ion Storage for High-Performance Al-Polythiophene Batteries
    Kong, Dongqing; Fan, Haodong; Ding, Xuefei; Wang, Dandan; Tian, Shuang; Hu, Haoyu; Du, Dongfeng; Li, Yanpeng; Gao, Xiuli; Hu, Han; Xue, Qingzhong; Yan, Zifeng; Ren, H.;* and Xing, Wei* ACS Appl. Mater. Interf. 2020, 12, 46065.
  11. Theoretical investigation on H2 oxidation mechanisms over pristine and Sm-doped CeO2(111) surfaces
    Zhu, H.*; Hou, Y.; Ren, H.; Liu, D.; Li, X.; Zhao, L.; Chi, Y.; Guo, W.* Appl. Surf. Sci. 2020, 511, 145388.
  12. Mo doping induced metallic CoSe for enhanced electrocatalytic hydrogen evolution
    Zhou, Y.; Zhang, J.; Ren, H.; Pan, Y.; Yan, Y.; Sun, F.; Wang, X.; Wang, S.; Zhang, J* Appl. Catal. B Environ. 2020, 268, 118467.
  13. Modulation of Inverse Spinel Fe3O4 by Phosphorus Doping as an Industrially Promising Electrocatalyst for Hydrogen Evolution
    Zhang, J.; Shang, X.; Ren, H.; Chi, J.; Fu, H.; Dong, B.*; Liu, C.; Chai, Y.* Adv. Mater. 2019, 31, 1905107.
  14. Diabatic Hamiltonian Construction in van der Waals heterostructure complexes
    Xie, Y.; Sun, H.; Zheng, Q.; Zhao, J.; Ren, H.*; Lan, Z.* J. Mater. Chem. A 2019, 7, 27484.
  15. Efficient energy gap tuning for T-carbon via single atomic doping
    Ren, H.*; Chu, H.; Li, Z.; Yue, T.; Hu, Z* Chem. Phys. 2019, 518, 69-73.
  16. Structural Modulation of Co Catalyzed Carbon Nanotubes with Cu–Co Bimetal Active Center to Inspire Oxygen Reduction Reaction
    Li, Z.*; Yang, T.; Zhao, W.; Xu, T.; Wei, L.; Feng, J.; Yang, X.; Ren, H.; Wu, M.* ACS Appl. Mater. Interf. 2019, 11, 3937-3945.
  17. Controllably Enriched Oxygen Vacancies through Polymer Assistance in Titanium Pyrophosphate as a Super Anode for Na/K-Ion Batteries
    Li, Z.*; Dong, Y.; Feng, J.; Xu, T.; Ren, H.; Gao, C.; Li, Y.; Cheng, M.; Wu, W.; Wu, M. ACS Nano 2019, 13, 9227-9236.
  18. NBN-Doped Conjugated Polycyclic Aromatic Hydrocarbons as an AIEgen Class for Extremely Sensitive Detection of Explosives
    Wan, W.; Tian, D.; Jing, Y.; Zhang, X.*; Wu, W.; Ren, H.*; Bao, H.* Angew. Chem. Int. Ed. 2018, 57, 15510-15516.
  19. Chemical identification of the amyloid peptide aggregation-prone Al(III)-peptide complexes by resonance Raman signatures: A computational study
    Tian, B.; Cheng, C.; Yue, T.; Lin, N.*; Ren, H.* Chem. Phys. 2018, 513, 1-6.
  20. “Dry” NiCo2O4 nanorods for electrochemical non-enzymatic glucose sensing
    Sun, F.; Zhang, J.; Ren, H.*; Wang, S.; Zhou, Y.*; Zhang, J. Chin. J. Chem. Phys. 2018, 31, 799.
  21. Extracting pulmonary surfactants to form inverse micelles on suspended graphene nanosheets
    Luo, Z.; Li, S.; Xu, Y.; Ren, H.; Zhang, X.; Hu, G.; Huang, F.; Yue, T.* Environ. Sci. Nano 2018, 5, 130-140.
  22. An amorphous tin-based nanohybrid for ultra-stable sodium storage
    Li, Z.*; Feng, J.; Hu, H.; Dong, Y.; Ren, H.; Wu, W.; Hu, Z.*; Wu, M.* J. Mater. Chem. A 2018, 6, 18920-18927.
  23. Transport of nanoparticles across pulmonary surfactant monolayer: a molecular dynamics study
    Xu, Y.; Deng, L.; Ren, H.; Zhang, X.; Huang, F.; Yue, T.* Phys. Chem. Chem. Phys. 2017, 19, 17568.
  24. First principles studies on electronic and transport properties of edge contact graphene-MoS2 heterostructure
    Sun, J.; Lin, N.*; Tang, C.; Wang, H.; Ren, H.; Zhao, X.* Comput. Mater. Sci. 2017, 133, 137-144.
  25. Electronic and transport properties of 2H1−x1Tx MoS2 hybrid structure: A first-principle study
    Sun, J.; Lin, N.*; Tang, C.; Wang, H.; Ren, H.; Zhao, X.* Physica E 2017, 91, 178-184.
  26. A first principles study of the interaction between two-dimensional black phosphorus and Al2O3 dielectric
    Sun, J.; Lin, N.*; Tang, C.; Ren, H.; Zhao, X.* RSC Adv. 2017, 7, 13777.
  27. Identifying Cu(II)–amyloid peptide binding intermediates in the early stages of aggregation by resonance Raman spectroscopy: a simulation study
    Ren, H.; Zhang, Y.*; Guo, S.; Lin, N.; Deng, L.; Yue, T.; Huang, F.* Phys. Chem. Chem. Phys. 2017, 19, 31103-31112.
  28. Interaction pathways between soft lipid nanodiscs and plasma membranes: A molecular modeling study
    Li, S.; Luo, Z.; Xu, Y.; Ren, H.; Deng, L.; Zhang, X.; Huang, F.; Yue, T.* BBA - Biomembranes 2017, 1859, 2096-2105.
  29. Identifying the structure of 4-chlorophenyl isocyanide adsorbed on Au(111) and Pt(111) surfaces by first-principles simulations of Raman spectra
    Hu, W.; Duan, S.; Zhang, Y.; Ren, H.; Jiang, J.*; Luo, Y.* Phys. Chem. Chem. Phys. 2017, 19, 32389.
  30. High-Density Super-Resolution Localization Imaging with Blinking Carbon Dots
    He, H.; Liu, X.; Li, S.; Wang, X.; Wang, Q.; Li, J.; Wang, J.;Ren, H.; Ge, B.; Wang, S.; Zhang, X.*; Huang, F.* Anal. Chem. 2017, 89, 11831.
  31. How transmembrane peptides insert and orientate in biomembranes: a combined experimental and simulation study
    Yue, T.*; Sun, M.; Zhang, S.; Ren, H.; Ge, B.; Huang, F.* Phys. Chem. Chem. Phys. 2016, 18, 17483.
  32. The electronic structure, mechanical flexibility and carrier mobility of black arsenic–phosphorus monolayers: a first principles study
    Sun, J.; Lin, N.*; Ren, H.; Tang, C.; Yang, L.; Zhao, X.* Phys. Chem. Chem. Phys. 2016, 18, 9779.
  33. Gas adsorption on MoS2/WS2 in-plane heterojunctions and the I–V response: a first principles study
    Sun, J.; Lin, N.*; Ren, H.*; Tang, C.; Yang, L.; Zhao, X.* RSC Adv. 2016, 6, 17494.
  34. Electronic and transport properties of graphene with grain boundaries
    Sun, J.; Lin, N.*; Li, Z.*; Ren, H.; Tang, C.; Zhao, X.* RSC Adv. 2016, 6, 1090.
  35. Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions
    Ren, H.*; Zhang, G.; Lin, N.; Deng, L.; Luo, Y.; Huang, F.* Phys. Chem. Chem. Phys. 2016, 18, 26586.
  36. Energy gap engineering of polymeric carbon nitride nanosheets for matching with NaYF4 :Yb,Tm: enhanced visible-near infrared photocatalytic activity
    Li, X.; Ren, H.; Zou, Z.; Sun, J.; Wang, J.*; Liu, Z.*; Chem. Commun. 2016, 52, 453.
  37. Visible and Near-Infrared Dual-Emission Carbogenic Small Molecular Complex with High RNA Selectivity and Renal Clearance for Nucleolus and Tumor Imaging
    He, H.; Wang, Z.; Cheng, T.; Liu, X.; Wang, X.; Wang, J.; Ren, H.; Sun, Y.; Song, Y.; Yang, J.; Xia, Y.; Wang, S.; Zhang, X.*; Huang, F.* ACS Appl. Mater. Interf. 2016, 8, 28529-28537.
  38. An Ultra-High Fluorescence Enhancement and High Throughput Assay for Revealing Expression and Internalization of Chemokine Receptor CXCR4
    He, H.; Wang, X.; Cheng, T.; Xia, Y.; Lao, J.; Ge, B.; Ren, H.; Khan, N.; Huang, F.* Chem. Europ J. 2016, 22, 5863-5867.
  39. Chaperonin-enhanced Escherichia coli cell-free expression of functional CXCR4
    Chi, H.; Wang, X.*; Li, J.; Ren, H.; Huang, F.* J. Biotech. 2016, 231, 193-200.
  40. Stable folding intermediates prevent fast interconversion between the closed and open states of Mad2
    Zhao, Y.; Li, L.; Wu, C.; Jiang, X.; Ge, B.; Ren, H.*; Huang, F.* Protein Eng. Des. Sel. 2016, 29, 23-29.
  41. Folding of newly translated membrane protein CCR5 is assisted by the chaperonin GroEL-GroES
    Chi, H.*; Wang, X.*; Li, J.; Ren, H.; Huang, F. Sci. Rep. 2015, 5, 17307.
  42. Two-dimensional Stimulated Resonance Raman Spectroscopy Study of the Trp-cage Peptide Folding
    Ren, H.; Lai, Z.; Biggs, J. D.; Wang, J.*; Mukamel, S.* Phys. Chem. Chem. Phys. 2013, 15, 19457-19464.
  43. Time Resolved Photoelectron Spectroscopy of Thioflavin T Photoisomerization: A Simulation Study
    Ren, H.; Fingerhut, B.; Mukamel, S.* J. Phys. Chem. A 2013, 117, 6096-6104.
  44. Two-dimensional Stimulated Ultraviolet Resonance Raman Spectra of Tyrosine and Tryptophan: A Simulation Study
    Ren, H.; Biggs, J. D.; Mukamel, S.* J. Raman Spectrosco. 2013, 44, 544-559.
  45. Multiple Core and Vibronic Coupling Effects in Attosecond Stimulated X-Ray Raman Spectroscopy (SXRS)
    Hua, W.; Biggs, J. D.; Zhang, Y.; Healion, D.; Ren, H.; Mukamel, S.* J. Chem. Theory Comput. 2013, DOI: 10.1021/ct400767g.
  46. Why the Band Gap of Graphene Is Tunable on Hexagonal Boron Nitride
    Kan, E.*; Ren, H.; Wu, F.; Li, Z.; Lu, R.; Xiao, C.; Deng, K.*; Yang, J. J. Phys. Chem. C 2012, 116, 3142-3146.
  47. Simulations of Two-dimensional Infrared and Stimulated Resonance Raman Spectra of Photoactive Yellow Protein
    Preketes, N. K.; Biggs, J. D.; Ren, H.; Andricioaei, I.*; Mukamel, S.* Chem. Phys. 2013, 422, 63-72.
  48. Deep UV Resonance Raman Spectroscopy of β-Sheet Amyloid Fibrils: A QM/MM Simulation
    Ren, H.*; Jiang, J.; Mukamel, S.* J. Phys. Chem. B 2011, 115, 13955-13962.
  49. Electronic Structure of Bismuth Telluride Quasi-two-dimensional Crystal: A First Principles Study
    Li, X.; Ren, H.; Luo, Y.* Appl. Phys. Lett. 2011, 98, 083113-083113-3.
  50. Identifying Configuration and Orientation of Adsorbed Molecules by Inelastic Electron Tunneling Spectra
    Ren, H.; Yang, J.*; Luo, Y.* J. Chem. Phys. 2010, 133, 064702-064702-4.
  51. Important Structural Factors Controlling the Conductance of DNA Pairs in Molecular Junctions
    Li, X.-F.; Ren, H.; Wang, L.-L.; Cheng, K.-Q.; Luo, Y.* J. Phys. Chem. C 2010, 114, 14240-14242.
  52. Simulation of Inelastic Electronic Tunneling Spectra of Adsorbates from First Principles
    Ren, H.; Yang, J.*; Luo, Y.* J. Chem. Phys. 2009, 130, 134707.
  53. Graphene Nanoribbon as a Negative Differential Resistance Device
    Ren, H.; Li, Q.; Yang, J.*; Luo, Y.* Appl. Phys. Lett. 2009, 94, 173110-173110-3.
  54. Strain Effect on Electronic Structures of Graphene Nanoribbons: A First-principles Study
    Sun, L.; Li, Q.*; Ren, H.; Su, H.; Shi, Q. W.; Yang, J.* J. Chem. Phys. 2008, 129, 074704-074704-6.
  55. Edge Effects on the Electronic Structures of Chemically Modified Armchair Graphene Nanoribbons
    Ren, H.; Li, Q.*; Su, H.; Shi, Q. W.; Chen, J.; Yang, J.* arXiv:0711.1700 2007.
  56. Quantum Dot Based on Z-shaped Graphene Nanoribbon: First-principles Study
    Ren, H.; Li, Q.*; Shi, Q. W.; Yang, J.* Chin. J. Chem. Phys. 2007, 20, 489-494.
  57. Switching Mechanism of Photochromic Diarylethene Derivatives Molecular Junctions
    Huang, J.; Li, Q.*; Ren, H.; Su, H.; Shi, Q. W.; Yang, J.* J. Chem. Phys. 2007, 127, 094705-094705-6.
  58. Tuning the Electronic Structure of Graphene Nanoribbons through Chemical Edge Modification: A Theoretical Study
    Wang, Z. F.; Li, Q.*; Zheng, H.; Ren, H.; Su, H.; Shi, Q. W.; Chen, J., Phys. Rev. B 2007, 75, 113406-113406-4.
  59. 单分子物理与化学的新进展
    李群祥;任浩;杨金龙;侯建国 物理学进展 2007, 27, 201.
  60. Single Quintuple Bond [PhCrCrPh] Molecule as a Possible Molecular Switch
    Huang, J.; Li, Q.*; Ren, H.; Su, H.; Yang, J.* J. Chem. Phys. 2006, 125, 184713-184713-4.
  61. 1,1,1-三氟乙烷与 .OH自由基反应的理论研究
    王焕杰;任浩;冯大成;顾月姝 高等学校化学学报 2005, 26, 1677.

webmaster-at-pme.upc.edu.cn