Hongqin Shi

发表

Geometrical features can predict electronic properties of graphene nanoflakes

A. Barnard, Michael Fernández, Hongqin Shi, 2016 .

High throughput theory and simulation of nanomaterials: exploring the stability and electronic properties of nanographene

I. Snook, A. Barnard, Hongqin Shi, 2012 .

Machine Learning Prediction of the Energy Gap of Graphene Nanoflakes Using Topological Autocorrelation Vectors.

A. Barnard, Michael Fernández, Hongqin Shi, 2016, ACS combinatorial science.

Relative Stability of Graphene Nanoflakes Under Environmentally Relevant Conditions

I. Snook, A. Barnard, Hongqin Shi, 2013 .

Harnessing the influence of reactive edges and defects of graphene substrates for achieving complete cycle of room-temperature molecular sensing.

Philip J. Martin, Jinghua Fang, Amanda S Barnard, 2013, Small.

Properties of the gold oxides Au 2 O 3 and Au 2 O : First-principles investigation

C. Stampfl, R. Asahi, Hongqin Shi, 2007 .

Effects of stereochemistry, mesogenic core and spacer length on crystallization from nematic and isotropic melts of cyclohexane-based glass-forming liquid crystals

Hongqin Shi, Shaw H. Chen, 1995 .

Novel glass-forming liquid crystals. II. Systems containing 1-phenyl-2-(6-cyanonaphth-2-yl)ethyne as a high optical birefringence moiety

Hongqin Shi, Shaw H. Chen, 1995 .

Novel glassy nematic and chiral nematic oligomers derived from 1,3,5-cyclohexanetricarboxylic and (1R,3S)-(+)-camphoric acids

Hongqin Shi, Shaw H. Chen, 1994 .

Boron Segregation on the ${\rm Si}(111)\sqrt{3} \times \sqrt{3}{\rm R}30^\circ$ Surface

P. Smith, Hongqin Shi, M. Radny, 2003 .

Electroluminescent Diodes Using Cyclohexane-Based Glass Forming Liquid Crystals and Their Analogues

Hongqin Shi, T. Tsutsui, J. Mastrangelo, 1996 .

Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction.

C. Stampfl, J. Szlachetko, Hongqin Shi, 2014, The journal of physical chemistry letters.

Structure and stability of Au rods on TiO2(110) surfaces by first-principles calculations

M. Kohyama, Hongqin Shi, Shingo Tanaka, 2009 .

Use of Glass-Forming Liquid Crystal Materials for Electroluminescent Diodes

Hongqin Shi, T. Tsutsui, Shaw H. Chen, 1996 .

The effects of N2 and steam dilution on NO emission for a H2/Air micromix flame

Cheng Lu, Hongqin Shi, Linyao Zhang, 2022, International Journal of Hydrogen Energy.

Novel vitrifiable liquid crystals as optical materials

Hongqin Shi, John C. Mastrangelo, B. M. Conger, 1996 .

Novel glass-forming liquid crystals. III Helical sense and twisting power in chiral nematic systems

Hongqin Shi, Shaw H. Chen, 1995 .

Thermotropic chiral nematic side-chain polymers and cyclic oligomers

Hongqin Shi, Shaw H. Chen, J. Mastrangelo, 1996 .

Quantum mechanical properties of graphene nano-flakes and quantum dots.

I. Snook, A. Barnard, Hongqin Shi, 2012, Nanoscale.

Atomic and electronic structure of the Si ( 001 ) -Rb chemisorption system at 0.5 and 1.0 monolayer coverage

Hongqin Shi, M. Radny, Phillip V. Smith, 2005 .

Atomic and electronic structure of the Si(0 0 1)2 × 1 Li chemisorption system at 1.0 monolayer coverage

Hongqin Shi, M. Radny, Phillip V. Smith, 2005 .

Atomic and electronic structure of theK∕Si(111)3×3R30°−Bchemisorption system

P. Smith, Hongqin Shi, M. Radny, 2004 .

Atomic and electronic structure of the Si(0 0 1)2 × 1–K surface

Hongqin Shi, M. Radny, Phillip V. Smith, 2004 .

Electronic structure of theSi(111)3×3R30°−Bsurface

P. Smith, Hongqin Shi, M. Radny, 2002 .

Atomic and electronic structure of the Si(001)2×2-Li chemisorption system at 0.5 monolayer coverage

Hongqin Shi, M. Radny, Phillip V. Smith, 2004 .

Dynamic mechanical properties of cyclohexane-based glass-forming liquid crystals and a linear side chain polymer analogue

T. Bunning, Hongqin Shi, Shaw H. Chen, 1996 .

Site-dependent stability and electronic structure of single vacancy point defects in hexagonal graphene nano-flakes.

I. Snook, A. Barnard, Hongqin Shi, 2013, Physical chemistry chemical physics : PCCP.

Modelling the role of size, edge structure and terminations on the electronic properties of trigonal graphene nanoflakes

I. Snook, A. Barnard, Hongqin Shi, 2012, Nanotechnology.

Shape and surface structure of gold nanoparticles under oxidizing conditions

C. Stampfl, Hongqin Shi, 2008 .

First-principles investigations of the structure and stability of oxygen adsorption and surface oxide formation at Au(111)

C. Stampfl, Hongqin Shi, 2007 .

Bridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environment

C. Stampfl, Hongqin Shi, A. Soon, 2008 .

Quantitative Structure-Property Relationship Modeling of Electronic Properties of Graphene Using Atomic Radial Distribution Function Scores

Michael Fernández, Amanda S. Barnard, Hongqing Shi, 2015, J. Chem. Inf. Model..

Novel glass-forming organic materials. 3. Cubane with pendant nematogens, carbazole, and disperse red 1

Hongqin Shi, John C. Mastrangelo, A. Bashir-Hashemi, 1997 .

Novel Glass-Forming Organic Materials. 1. Adamantane with Pendant Cholesteryl, Disperse Red 1, and Nematogenic Groups

A. Bashir-Hashemi, Hongqin Shi, Shaw H. Chen, 1995 .

The effects of steam dilution on flame structure and stability for a H2/air micromix burner

Cheng Lu, Hongqin Shi, Linyao Zhang, 2023, Journal of the Energy Institute.

Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes.

A. Barnard, Hongqin Shi, R. J. Rees, 2015, Nanoscale.

CIRCULARLY POLARIZED FLUORESCENCE FROM CHIRAL NEMATIC LIQUID CRYSTALLINE FILMS : THEORY AND EXPERIMENT

Hongqin Shi, Dimitris Katsis, B. M. Conger, 1998 .

Gases production from microwave-assisted pyrolysis of polypropylene

Hongqin Shi, Wenke Zhao, Yaning Zhang, 2023, Journal of Environmental Chemical Engineering.

Electronic structure of the Si(111)(3)(3)R30-B surface

P. Smith, Hongqin Shi, M. Radny, 2002 .

First-principles investigations of the structure and stability of oxygen adsorption and surface oxide formation at Au(111)

C. Stampfl, Hongqin Shi, 2007 .

Efficient Heating of Activated Carbon in Microwave Field

Hongqin Shi, Wenke Zhao, Yaning Zhang, 2023, C++ Conference.