Haibei Li

发表

Travis V. Harris, K. Morokuma, Romain Ramozzi, 2015, Chemical reviews.

Dihydropyreno[1,2-b:6,7-b′]dithiophene based electron acceptors for high efficiency as-cast organic solar cells

Zhishan Bo, Shiyu Feng, Cuihong Li, 2019, Journal of Materials Chemistry A.

Structure and photoluminescence evolution of nanodots during pyrolysis of citric acid: from molecular nanoclusters to carbogenic nanoparticles

Lijuan Shi, T. Ding, Haibei Li, 2017 .

Insight into the multiple quasi-molecular states in ethylenediamine reduced graphene nanodots.

T. Ding, Haibei Li, Xiaohui Liu, 2017, Physical chemistry chemical physics : PCCP.

Insights into Fluorophores of Dual-Emissive Carbon Dots Derived by Naphthalenediol Solvothermal Synthesis

T. Ding, Haibei Li, Xianrui Meng, 2021 .

Hierarchical multicarbonyl polyimide architectures as promising anode active materials for high-performance lithium/sodium ion batteries

Qinghua Zhang, Y. Li, Xin Zhao, 2019, Journal of Materials Chemistry A.

Noncovalently Fused-Ring Electron Acceptors with C2v Symmetry for Regulating the Morphology of Organic Solar Cells.

Zhishan Bo, Xinjun Xu, Yahui Liu, 2020, ACS applied materials & interfaces.

Spanning the “Parameter Space” of Chemical Vapor Deposition Graphene Growth with Quantum Chemical Simulations

K. Morokuma, S. Irle, A. Page, 2016 .

Tetrel bonds between PhSiF3 /PhTH3 (T = Si, Ge, Sn) and H3 ZO (Z = N, P, As): A pentacoordinate silicon (IV) complex

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2018, International Journal of Quantum Chemistry.

A σ-hole interaction with radical species as electron donors: does single-electron tetrel bonding exist?

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2014, Physical chemistry chemical physics : PCCP.

ELECTRON TOPOLOGICAL AND ENERGETIC STUDY OF THE INTERMOLECULAR HALOGEN BONDING INTERACTIONS IN COMPLEXES H2O ⋯ M (M = F2, ClF, ANDCF4)

Jinlong Yang, S. Tian, Haibei Li, 2009 .

The Effects of Molecular Properties on Ready Biodegradation of Aromatic Compounds in the OECD 301B CO2 Evolution Test

Mei He, Meiying Xu, Guoping Sun, 2016, Archives of Environmental Contamination and Toxicology.

Hydrogen-Bonding Interactions and Molecular Packing in Polyimide Fibers Containing Benzimidazole Units

Qinghua Zhang, Haibei Li, Jie Dong, 2014 .

Positive Effect of Water in Asymmetric Direct Aldol Reactions with Primary Amine Organocatalyst: Experimental and Computational Studies.

K. Morokuma, K. Nakayama, S. Maeda, 2015, Chemistry, an Asian journal.

Prominent enhancing effects of substituents on the strength of π···σ‐hole tetrel bond

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2017 .

Comparison of triel bonds with different chalcogen electron donors: Its dependence on triel donor and methyl substitution

Haibei Li, Qingzhong Li, Zongqing Chi, 2019, International Journal of Quantum Chemistry.

Origin of selenium-gold interaction in F2CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH3): Synergistic effects.

Haibei Li, Qingzhong Li, X. Guo, 2016, The Journal of chemical physics.

Tetrel-hydride interaction between XH₃F (X = C, Si, Ge, Sn) and HM (M = Li, Na, BeH, MgH).

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2015, Journal of Physical Chemistry A.

Tetrel Bond between 6-OTX3-Fulvene and NH3: Substituents and Aromaticity

Haibei Li, Shufeng Liu, Qingzhong Li, 2018, Molecules.

Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction.

Haibei Li, Qingzhong Li, Jian-Bo Cheng, 2016, The Journal of chemical physics.

A solution-processable copper(II) phthalocyanine derivative as a dopant-free hole-transporting material for efficient and stable carbon counter electrode-based perovskite solar cells

Licheng Sun, Xichuan Yang, Xiaoqing Jiang, 2017 .

Molecular Engineering of Copper Phthalocyanines: A Strategy in Developing Dopant‐Free Hole‐Transporting Materials for Efficient and Ambient‐Stable Perovskite Solar Cells

A. Hagfeldt, Licheng Sun, Xichuan Yang, 2018, Advanced Energy Materials.

Developing D–π–D hole-transport materials for perovskite solar cells: the effect of the π-bridge on device performance

Dongyang Zhang, Yongbin Hua, Peng Xu, 2021 .

Nonfullerene Acceptors with Enhanced Solubility and Ordered Packing for High-Efficiency Polymer Solar Cells

Zhishan Bo, Xinjun Xu, W. Ma, 2018, ACS Energy Letters.

Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations.

K. Morokuma, Mengzhen Jiao, S. Irle, 2014, Nanoscale.

Theoretical study of the stepwise protonation of the dioxo manganese(V) porphyrin.

Jinlong Yang, S. Tian, Haibei Li, 2008, The journal of physical chemistry. B.

The influence of the π-bridging unit of fused-ring acceptors on the performance of organic solar cells

Shouli Ming, Zhishan Bo, Xinjun Xu, 2018 .

Nearly exclusive growth of small diameter semiconducting single-wall carbon nanotubes from organic chemistry synthetic end-cap molecules.

Edward A. Jackson, K. Morokuma, Chongwu Zhou, 2014, Nano letters.

Electrochemical Properties of a Multicarbonyl Polyimide Superstructure as a Hierarchically Porous Organic Anode for Lithium-Ion Batteries

Qinghua Zhang, Xin Zhao, Haibei Li, 2021, ACS Applied Energy Materials.

Preparation of highly thermally conductive and electrically insulating PI/BNNSs nanocomposites by hot-pressing self-assembled PI/BNNSs microspheres

Qinghua Zhang, Xin Zhao, Haibei Li, 2020 .

Unique interactions between diborane and pi orbitals: blue- or red-shifted hydrogen bonding?

Jinlong Yang, S. Tian, Haibei Li, 2008, The journal of physical chemistry. A.

Monoanion BH4(-) can stabilize zwitterionic glycine with dihydrogen bonds.

Jinlong Yang, S. Tian, Haibei Li, 2009, ChemPhysChem.

Bioaccessibility and Health Risk Assessment of Cu, Cd, and Zn in “Colored” Oysters

Mei He, Haibei Li, L. Tian, 2016, Archives of Environmental Contamination and Toxicology.

Photoinduced Iron-Catalyzed ipso-Nitration of Aryl Halides via Single-Electron Transfer

T. Ding, Haibei Li, Hao Xu, 2021, ACS Catalysis.

Asymmetric phase-transfer catalysis with homo- and heterochiral quaternary ammonium salts: a theoretical study.

K. Morokuma, K. Maruoka, G. Petrova, 2014, The journal of physical chemistry. B.

Naphthalene-based Polyimide Derivatives as Organic Electrode Materials for Lithium-ion Batteries

Qinghua Zhang, Chao‐hsu Chen, Xin Zhao, 2017 .

How do organic gold compounds and organic halogen molecules interact? Comparison with hydrogen bonds

Haibei Li, Qingzhong Li, Wenzuo Li, 2015 .

Global ab initio exploration of potential energy surfaces for radical generation in the initial stage of benzene oxidation

Haibei Li, Qingqing Jia, 2019, RSC advances.

Experimental and computational studies on molecularly imprinted solid-phase extraction for gonyautoxins 2,3 from dinoflagellate Alexandrium minutum

Ziru Lian, Haibei Li, Jiangtao Wang, 2016, Analytical and Bioanalytical Chemistry.

Hydrolysis mechanism of double six–membered ring pentaborate anion

Wenqing Zhang, Hongyang Liu, Haibei Li, 2020 .

Reduced coefficient of linear thermal expansion of colorless and transparent polyimide by introducing rigid-rod amide unit: synthesis and properties

Qinghua Zhang, Xin Zhao, Haibei Li, 2022, Polymer Chemistry.

Comparison of tetrel bonds and halogen bonds in complexes of DMSO with ZF3X (Z = C and Si; X = halogen)

Haibei Li, Qingzhong Li, Wenzuo Li, 2016 .

First principles nuclear magnetic resonance signatures of graphene oxide.

Jinlong Yang, Zhenyu Li, N. Lu, 2010, The Journal of chemical physics.

Cover Picture: Macromol. Mater. Eng. 10/2014

Qinghua Zhang, Haibei Li, Zixin Zhang, 2014 .

Ionic polyimide membranes containing Tröger's base: Synthesis, microstructure and potential application in CO2 separation

Qinghua Zhang, Xin Zhao, Haibei Li, 2020 .

Benzoquinone-based Polyimide Derivatives as High-Capacity and Stable Organic Cathodes for Lithium-Ion Batteries.

Tao Huang, Qinghua Zhang, Xin Zhao, 2019, ACS applied materials & interfaces.

Quantum Chemical Simulation of Carbon Nanotube Nucleation on Al2O3 Catalysts via CH4 Chemical Vapor Deposition.

K. Morokuma, S. Irle, A. Page, 2015, Journal of the American Chemical Society.

Revealing the Dual Role of Hydrogen for Growth Inhibition and Defect Healing in Polycyclic Aromatic Hydrocarbon Formation: QM/MD Simulations

K. Morokuma, S. Irle, A. Page, 2013 .

Excited-state intramolecular proton-transfer-induced dual fluorescence emission in 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and resorcinol-based carbon dots

Haibei Li, Xianrui Meng, Wenkai Zhang, 2022, Optical Materials.

ESIPT fluorophores derived from 2,3-dichloro-5,6-dicyano-p-benzoquinone based carbon dots for dual emission and multiple anti-counterfeiting.

T. Ding, Haibei Li, Xianrui Meng, 2020, Physical chemistry chemical physics : PCCP.

Supramolecular interactions via hydrogen bonding contributing to citric-acid derived carbon dots with high quantum yield and sensitive photoluminescence

Lijuan Shi, T. Ding, Haibei Li, 2017 .

Sub-surface nucleation of graphene precursors near a Ni(111) step-edge.

K. Morokuma, S. Irle, A. Page, 2012, Chemical communications.

Single-walled carbon nanotube growth from chiral carbon nanorings: prediction of chirality and diameter influence on growth rates.

K. Morokuma, S. Irle, A. Page, 2012, Journal of the American Chemical Society.

Theoretical insights into chirality-controlled SWCNT growth from a cycloparaphenylene template.

K. Morokuma, S. Irle, A. Page, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Morphology Effects of Graphene Seeds on the Quality of Graphene Nucleation: Quantum Chemical Molecular Dynamics Simulations

Xian Zhao, Haibei Li, Jingjing Wang, 2021 .

Nucleation of Graphene Precursors on Transition Metal Surfaces: Insights from Theoretical Simulations

K. Morokuma, S. Irle, A. Page, 2013 .

Effects of Electronic Structure of Adjacent Carbon on the Strength of C─F⋯H─F Organofluorine Hydrogen Bonds

Mo Luo, Jingjing Wang, Qingqing Jia, 2019, J. Comput. Chem..

Understanding the effects of vicinal carbon substituents and configuration on organofluorine hydrogen-bonding interaction

Haibei Li, Mo Luo, Qingzhong Li, 2018, RSC advances.

Hyperconjugative effect on the electronic wavefunctions of ethanol

S. Tian, Fang-zhou Wu, Haibei Li, 2008, 0808.4072.

Graphene nucleation on a surface-molten copper catalyst: quantum chemical molecular dynamics simulations

K. Morokuma, S. Irle, T. Frauenheim, 2014 .

A photodegradable hexaaza-pentacene molecule for selective dispersion of large-diameter semiconducting carbon nanotubes.

Qichun Zhang, Jie Han, Qingwen Li, 2016, Chemical communications.

Hydrogen Bonds Involving Radical Species

Haibei Li, Qingzhong Li, 2015 .

A theoretical study of the photodetachment and intramolecular hydrogen-bonding energies of hydrogen maleate anions.

S. Tian, Haibei Li, 2007, The journal of physical chemistry. A.

The ONIOM Method and Its Applications.

Travis V. Harris, K. Morokuma, Romain Ramozzi, 2015, Chemical reviews.

Temperature dependence of catalyst-free chirality-controlled single-walled carbon nanotube growth from organic templates

K. Morokuma, S. Irle, A. Page, 2013 .