Hai-Bin Li

发表

A designed bithiopheneimide-based conjugated polymer for organic photovoltaic with ultrafast charge transfer at donor/PC(71)BM interface: theoretical study and characterization.

Z. Su, Hong-liang Xu, Shuang-Bao Li, 2014, Physical chemistry chemical physics : PCCP.

Improving the Accuracy of Low Level Density Functional Theory Calculation for Absorption Energies: The Least Squares Support Vector Machine

Hai-Bin Li, Hongzhi Li, Ting Gao, 2010, 2010 International Conference on Intelligent Computation Technology and Automation.

A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties

Z. Su, Hai-Ning Wang, Xin‐Long Wang, 2014 .

Rational modifications on champion porphyrin dye using different electron-withdrawing moieties toward high performance dye-sensitized solar cells.

Z. Su, Y. Geng, Hai-Bin Li, 2014, Physical chemistry chemical physics : PCCP.

Modification on C219 by coumarin donor toward efficient sensitizer for dye sensitized solar cells: A theoretical study

Z. Su, Q. Fu, Y. Geng, 2013 .

Synthesis of cationic iridium(III) complexes with high quantum yield via enhancing the steric hindrance of ligands

Z. Su, Hai-Bin Li, Zhongcheng Mu, 2012 .

Piezochromic luminescent (PCL) behavior and aggregation-induced emission (AIE) property of a new cationic iridium(III) complex.

Z. Su, Jun-sheng Qin, Hai-Bin Li, 2012, Dalton transactions.

Intramolecular π-stacking in cationic iridium(III) complexes with a triazole–pyridine type ancillary ligand: synthesis, photophysics, electrochemistry properties and piezochromic behavior

Z. Su, Hai-Bin Li, Y. Liao, 2012 .

Cyano or o-nitrophenyl? Which is the optimal electron-withdrawing group for the acrylic acid acceptor of D-π-A sensitizers in DSSCs? A density functional evaluation

Z. Su, Yu-Ai Duan, Y. Geng, 2013, Journal of Molecular Modeling.

Influence of alkyl chain lengths on the properties of iridium(III)-based piezochromic luminescent dyes with triazole-pyridine type ancillary ligands

Haizhu Sun, Z. Su, Hai-Bin Li, 2013 .

An efficient strategy for improving carrier transport performance – Introducing fluorine into aryl substituted tetracene

Z. Su, Yu-Ai Duan, Y. Geng, 2013 .

Controllable synthesis of iridium(III)-based aggregation-induced emission and/or piezochromic luminescence phosphors by simply adjusting the substitution on ancillary ligands

Haizhu Sun, Z. Su, Hai-Bin Li, 2013 .

Creation of cationic iridium(III) complexes with aggregation-induced phosphorescent emission (AIPE) properties by increasing rotation groups on carbazole peripheries.

P. Li, Z. Su, Hai-Bin Li, 2011, Dalton transactions.

Phenylcarbazole and phosphine oxide/sulfide hybrids as host materials for blue phosphors: effectively tuning the charge injection property without influencing the triplet energy.

Z. Su, Hai-Bin Li, Shui‐Xing Wu, 2012, Physical chemistry chemical physics : PCCP.

Forward molecular design for highly efficient OLED emitters: a theoretical analysis of photophysical properties of platinum(II) complexes with N-heterocyclic carbene ligands.

Z. Su, Y. Geng, Hai-Bin Li, 2011, Dalton transactions.

Reversible piezochromic behavior of two new cationic iridium(III) complexes.

Z. Su, Hai-Bin Li, H. Cao, 2012, Chemical communications.

Toward design of high-performance optoelectronic materials: comparative theoretical studies on the photophysical and charge transport properties of fluorene-based compounds

Z. Su, Y. Geng, Hai-Bin Li, 2012, Theoretical Chemistry Accounts.

Enhancing the luminescence properties and stability of cationic iridium(III) complexes based on phenylbenzoimidazole ligand: a combined experimental and theoretical study.

Haizhu Sun, Z. Su, Hai-Bin Li, 2013, Dalton transactions.

The effect of phenyl group on the electronic and phosphorescent properties of cyclometalated analogues of platinum(II) terpyridine complexes: a theoretical study

Z. Su, Hai-Bin Li, L. Shi, 2009 .

Synthesis, structure and photophysical properties of cationic Ir(III) complexes with functionalized 1,10-phenanthroline ancillary ligands

Z. Su, Hai-Bin Li, H. Cao, 2012 .

Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties

Z. Su, Hai-Bin Li, T. Lei, 2012 .

The origin of the unusual broad and intense visible absorption of tetrathiafulvalene-annulated zinc porphyrazine: a density functional theory study.

Likai Yan, Hai-Bin Li, Shiling Sun, 2012, Journal of molecular graphics & modelling.

Theoretical discussions on electron transport properties of perylene bisimide derivatives with different molecular packings and intermolecular interactions

Z. Su, Guochun Yang, Y. Geng, 2011 .

Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21(6-) polyoxoanion core.

Z. Su, Likai Yan, C. Qin, 2012, Chemical communications.

Theoretical insight into the origin of large stokes shift and photophysical properties of anilido-pyridine boron difluoride dyes.

Z. Su, Yu-Ai Duan, Y. Geng, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

A cationic iridium(III) complex with aggregation-induced emission (AIE) properties for highly selective detection of explosives.

Haizhu Sun, Z. Su, Hai-Bin Li, 2014, Chemical communications.

Density functional studies on photophysical properties and chemical reactivities of the triarylboranes: effect of the constraint of planarity

Z. Su, Yu-Ai Duan, Y. Geng, 2013, Journal of Molecular Modeling.

Theoretical studies on organic D-π-A sensitizers with planar triphenylamine donor and different π-linkers for dyes-sensitized solar cells

Z. Su, Y. Geng, Hai-Bin Li, 2014, Journal of Molecular Modeling.

Theoretical study and design of triphenylamine-malononitrile-based p-type organic dyes with different π-linkers for dyes-sensitized solar cells

Z. Su, Yu-Ai Duan, Y. Geng, 2014 .

Density functional theory characterization and design of high-performance diarylamine-fluorene dyes with different π spacers for dye-sensitized solar cells

Yun Geng, Zhong-Min Su, Z. Su, 2012 .

Density functional theory studies on structures and absorption spectra of [Au(tpy)Cl]2+ and its derivatives: Role of basis set, functional, solvent effect, and spin orbit effect

Z. Su, Hai-Bin Li, Y. Liao, 2012 .

Photoinduced charge transfer processes of zinc porphyrin derivatives for dye-sensitized solar cells

Hai-Bin Li, Y. Liao, Hao. Dong, 2013, Chemical Research in Chinese Universities.

A cationic iridium(III) complex showing aggregation-induced phosphorescent emission (AIPE) in the solid state: synthesis, characterization and properties.

Peng Li, Yi Liao, Zhong-Min Su, 2012, Dalton transactions.

Stepwise modulation of the electron-donating strength of ancillary ligands: understanding the AIE mechanism of cationic iridium(III) complexes.

Haizhu Sun, Z. Su, Yu-Ai Duan, 2014, Chemical communications.

Potential of bifluorenylidene derivatives as nonfullerene small-molecule acceptor for heterojunction organic photovoltaics: a density functional theory study

Z. Su, Y. Geng, Hai-Bin Li, 2012, Theoretical Chemistry Accounts.

Theoretical study on the rectifying performance of organoimido derivatives of hexamolybdates.

Guochun Yang, Hai-Bin Li, Zhongmin Su, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical characterization and design of small molecule donor material containing naphthodithiophene central unit for efficient organic solar cells

Yong Wu, Zhongmin Su, Yu-Ai Duan, 2013, J. Comput. Chem..

Theoretical design of three-dimensional non-fullerene acceptor materials based on an arylenediimide unit towards high efficiency organic solar cells

Z. Su, Shuang-Bao Li, Y. Geng, 2017 .

The interplay of intermolecular interactions, packing motifs and electron transport properties in perylene diimide related materials: a theoretical perspective

Z. Su, Y. Geng, Hai-Bin Li, 2012 .

Theoretical study on charge transport properties of cyanovinyl-substituted oligothiophenes

Z. Su, Yu-Ai Duan, Y. Geng, 2012 .

How to design proper π-spacer order of the D-π-A dyes for DSSCs? A density functional response

Yun Geng, Zhong-Min Su, Z. Su, 2012 .

Accurate Prediction of Transition Energies in Organic Molecules

Hui Li, Hong-Zhi Li, Ting Gao, 2010, 2010 Fifth International Conference on Frontier of Computer Science and Technology.

Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach.

Hui Li, Ying-Hua Lu, Ting Gao, 2009, Physical chemistry chemical physics : PCCP.

Theoretical studies on the hole transport property of tetrathienoarene derivatives: The influence of the position of sulfur atom, substituent and π-conjugated core

Z. Su, Yu-Ai Duan, Y. Geng, 2014 .

Theoretical study and design of multifunctional phosphorescent platinum(II) complexes containing triarylboron moieties for efficient OLED emitters.

Z. Su, Y. Geng, Hai-Bin Li, 2015, Physical chemistry chemical physics : PCCP.

The influence of thienyl-S,S-dioxidation on the photoluminescence and charge transport properties of dithienothiophenes: a theoretical study

Z. Su, Yu-Ai Duan, Y. Geng, 2011 .

A theoretical discussion on the relationships among molecular packings, intermolecular interactions, and electron transport properties for naphthalene tetracarboxylic diimide derivatives

Z. Su, Y. Geng, Hai-Bin Li, 2011 .

Quantum Chemical Insight into the LiF Interlayer Effects in Organic Electronics: Reactions between Al Atom and LiF Clusters.

Liang Zhao, Z. Su, Hai-Bin Li, 2015, The journal of physical chemistry letters.

Modulation on charge recombination and light harvesting toward high-performance benzothiadiazole-based sensitizers in dye-sensitized solar cells: A theoretical investigation

M. Zhang, Z. Su, Hong-liang Xu, 2014 .