Qikai Li

发表

Capillary force restoration of droplet on superhydrophobic ribbed nano-needles arrays

Yanlin Song, Lei Jiang, Liang Xu, 2010 .

Local configuration interaction single excitation approach: Application to singlet and triplet excited states structure for conjugated chains

Z. Shuai, Qikai Li, Qingxu Li, 2008 .

Theoretical study on self-assembly in organic materials

Z. Shuai, L. Meng, Jianming Chen, 2010 .

Synthesis, Self-Assembly and Solution-Processed Field-Effect Transistors of a Liquid Crystalline Bis(dithienothiophene) Derivative

L. Wan, R. Liu, Yunqi Liu, 2009 .

Is there a Au-S bond dipole in self-assembled monolayers on gold?

Z. Shuai, Zhongyun Ma, Linjun Wang, 2010, Physical Chemistry, Chemical Physics - PCCP.

Spontaneously aggregated chiral nanostructures from achiral tripod-terpyridine.

W. Xu, Daoben Zhu, Yabin Song, 2007, The journal of physical chemistry. B.

Theoretical study of inelastic X-ray scattering spectra for organic materials: Molecular excitation coupled with molecular exciton descriptions

Ke Yang, Z. Shuai, D. Feng, 2007 .

A “clicked” porphyrin cage with high binding affinity towards fullerenes

Z. Shuai, Huibiao Liu, Yongjun Li, 2014 .

Analysis of Chemical Reaction Process after Pentaerythritol Tetranitrate Hot Spot Ignition

Yaping Zhang, Qikai Li, Yuanhang He, 2020, ACS omega.

Synthesis, self-assembly, and solution-processed nanoribbon field-effect transistor of a fused-nine-ring thienoacene.

W. Hu, Yunqi Liu, Yajie Zhang, 2010, Chemical communications.

Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First‐Principles Level

Zhigang Shuai, Qikai Li, Z. Shuai, 2011, Advanced materials.

Computational methods for design of organic materials with high charge mobility.

Zhigang Shuai, Guangjun Nan, Qian Peng, 2010, Chemical Society reviews.

Computational methods for design of organic materials with high charge mobility.

Z. Shuai, Xiaodi Yang, Linjun Wang, 2010, Chemical Society reviews.

Understanding Lattice Strain‐Controlled Charge Transport in Organic Semiconductors: A Computational Study

Dong Wang, Z. Shuai, Yuanping Yi, 2014 .

Carbon-rich Clusters and Graphite-like Structure Formation during Early Detonation of 2,4,6-Trinitrotoluene (TNT) via Molecular Dynamics Simulation

Qikai Li, Yaping Zhang, Yuanhang He, 2018 .

Theoretical comparative studies of charge mobilities for molecular materials: Pet versus bnpery

Zhigang Shuai, Qikai Li, Z. Shuai, 2008 .

Electron correlation effects on the nonlinear optical properties of conjugated polyenes

Liping Chen, Z. Shuai, Qikai Li, 2008 .

Water transport and purification in nanochannels controlled by asymmetric wettability.

Lei Jiang, W. Guo, Dong Wang, 2011, Small.

Bioinspired Ribbed Nanoneedles with Robust Superhydrophobicity

Lei Jiang, David Quéré, Yanlin Song, 2010 .

Sunlight‐Coordinated High‐Performance Moisture Power in Natural Conditions

L. Qu, Z. Shuai, Yaxin Huang, 2021, Advanced materials.

ReaxFF Molecular Dynamics Simulation of Hydrostatic and Uniaxial Compression of Nitrate Energetic Materials

Yaping Zhang, Qikai Li, Yuanhang He, 2020, ACS omega.

Computational characterization of organic photovoltaic devices

Dong Wang, Z. Shuai, L. Meng, 2011 .

Influences of dynamic and static disorder on the carrier mobility of BTBT-C12 derivatives: a multiscale computational study.

Z. Shuai, Qikai Li, Xing-Liang Peng, 2021, Nanoscale.

Multiscale study of charge mobility of organic semiconductor with dynamic disorders.

Qiang Shi, Zhigang Shuai, Liping Chen, 2010, Physical chemistry chemical physics : PCCP.

Theoretical modelling of carrier transports in molecular semiconductors: molecular design of triphenylamine dimer systems

Zhigang Shuai, Qikai Li, Z. Shuai, 2007, Nanotechnology.

Effects of charge distribution on water filling process in carbon nanotube

Z. Shuai, L. Meng, Qikai Li, 2009 .

Effects of size constraint on water filling process in nanotube.

Z. Shuai, L. Meng, Qikai Li, 2008, The Journal of chemical physics.

An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices.

Lingyi Meng, Zhigang Shuai, Jean-Luc Brédas, 2011, The Journal of chemical physics.

Device simulation of low-band gap polymer solar cells: Influence of electron-hole pair dissociation and decay rates on open-circuit voltage

Dong Wang, Z. Shuai, L. Meng, 2010 .

Soluble dithienothiophene polymers: Effect of link pattern

Yao Liu, Yongfang Li, X. Zhan, 2009 .

Electronic Structure of Self‐Assembled Monolayers on Au(111) Surfaces: The Impact of Backbone Polarizability

T. Bučko, L. Romaner, Z. Shuai, 2009 .

Gibbs–Curie–Wulff Theorem in Organic Materials: A Case Study on the Relationship between Surface Energy and Crystal Growth

Huanli Dong, Z. Shuai, Rongjin Li, 2016, Advanced materials.

Electronic structure of pyridine-based SAMs on flat Au(111) surfaces: extended charge rearrangements and Fermi level pinning.

Z. Shuai, Zhongyun Ma, Linjun Wang, 2011, Physical chemistry chemical physics : PCCP.

Shock-Induced Hot Spot Formation and Spalling in 1,3,5-trinitroperhydro-1,3,5-triazine Containing a Cube Void

Yaping Zhang, Qikai Li, Yuanhang He, 2019, ACS omega.

Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal.

Z. Shuai, Q. Peng, Qikai Li, 2007, The Journal of chemical physics.

Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First‐Principles Level

Z. Shuai, Linjun Wang, Qikai Li, 2011, Advanced materials.

Dynamic Monte Carlo simulation for highly efficient polymer blend photovoltaics.

Lingyi Meng, Zhigang Shuai, Yongfang Li, 2010, The journal of physical chemistry. B.

ReaxFF Molecular Dynamics Simulation of Hydrostatic and Uniaxial Compression of Nitrate Energetic Materials

Yaping Zhang, Qikai Li, Yuanhang He, 2020, ACS Omega.