SHI, Hongqing (Robyn)
SHI, Hongqing (Robyn)
Visiting Scientist at CSIRO, Australia
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Properties of the gold oxides and : First-principles investigation
H Shi, R Asahi, C Stampfl
Physical Review B 75 (20), 205125, 2007
First-principles investigations of the structure and stability of oxygen adsorption and surface oxide formation at Au (111)
H Shi, C Stampfl
Physical Review B 76 (7), 075327, 2007
Shape and surface structure of gold nanoparticles under oxidizing conditions
H Shi, C Stampfl
Physical Review B 77 (9), 094127, 2008
Harnessing the influence of reactive edges and defects of graphene substrates for achieving complete cycle of room‐temperature molecular sensing
LK Randeniya, H Shi, AS Barnard, J Fang, PJ Martin, K Ostrikov
Small 9 (23), 3993-3999, 2013
Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2O3 Reduction
J Szlachetko, J Sá, M Nachtegaal, U Hartfelder, JC Dousse, J Hoszowska, ...
The journal of physical chemistry letters 5 (1), 80-84, 2014
Bridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environment
C Stampfl, A Soon, S Piccinin, H Shi, H Zhang
Journal of Physics: Condensed Matter 20 (18), 184021, 2008
Quantum mechanical properties of graphene nano-flakes and quantum dots
H Shi, AS Barnard, IK Snook
Nanoscale 4 (21), 6761-6767, 2012
Electronic structure of the Si (111) 3× 3 R 30°− B surface
HQ Shi, MW Radny, PV Smith
Physical Review B 66 (8), 085329, 2002
Geometrical features can predict electronic properties of graphene nanoflakes
M Fernandez, H Shi, AS Barnard
Carbon 103, 142-150, 2016
Structure and stability of Au rods on TiO 2 (110) surfaces by first-principles calculations
H Shi, M Kohyama, S Tanaka, S Takeda
Physical Review B 80 (15), 155413, 2009
Modelling the role of size, edge structure and terminations on the electronic properties of trigonal graphene nanoflakes
H Shi, AS Barnard, IK Snook
Nanotechnology 23 (6), 065707, 2012
Machine learning prediction of the energy gap of graphene nanoflakes using topological autocorrelation vectors
M Fernandez, JI Abreu, H Shi, AS Barnard
ACS combinatorial science 18 (11), 661-664, 2016
High throughput theory and simulation of nanomaterials: exploring the stability and electronic properties of nanographene
H Shi, AS Barnard, IK Snook
Journal of Materials Chemistry 22 (35), 18119-18123, 2012
Atomic and electronic structure of the K∕ Si (111) 3× 3 R 30°− B chemisorption system
HQ Shi, MW Radny, PV Smith
Physical Review B 70 (23), 235325, 2004
Quantitative structure–property relationship modeling of electronic properties of graphene using atomic radial distribution function scores
M Fernandez, H Shi, AS Barnard
Journal of chemical information and modeling 55 (12), 2500-2506, 2015
Relative stability of graphene nanoflakes under environmentally relevant conditions
H Shi, L Lai, IK Snook, AS Barnard
The Journal of Physical Chemistry C 117 (29), 15375-15382, 2013
Site-dependent stability and electronic structure of single vacancy point defects in hexagonal graphene nano-flakes
H Shi, AS Barnard, IK Snook
Physical Chemistry Chemical Physics 15 (14), 4897-4905, 2013
Atomic and electronic structure of the Si (001) 2× 2− Li chemisorption system at 0.5 monolayer coverage
HQ Shi, MW Radny, PV Smith
Physical Review B 69 (23), 235328, 2004
顾晓英, 陶磊, 施慧雄, 楼丹, 焦海峰, 尤仲杰
应用生态学报, 1551-1557, 2010
Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes
H Shi, RJ Rees, MC Per, AS Barnard
Nanoscale 7 (5), 1864-1871, 2015
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