Properties of the gold oxides and : First-principles investigation H Shi, R Asahi, C Stampfl
Physical Review B 75 (20), 205125, 2007
156 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
149 2007 Shape and surface structure of gold nanoparticles under oxidizing conditions H Shi, C Stampfl
Physical Review B 77 (9), 094127, 2008
64 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
51 2013 Real Time Determination of the Electronic Structure of Unstable Reaction Intermediates during Au2 O3 Reduction J Szlachetko, J Sá, M Nachtegaal, U Hartfelder, JC Dousse, J Hoszowska, ...
The journal of physical chemistry letters 5 (1), 80-84, 2014
46 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
46 2008 Quantum mechanical properties of graphene nano-flakes and quantum dots H Shi, AS Barnard, IK Snook
Nanoscale 4 (21), 6761-6767, 2012
42 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
42 2002 Geometrical features can predict electronic properties of graphene nanoflakes M Fernandez, H Shi, AS Barnard
Carbon 103, 142-150, 2016
37 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
37 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
32 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
27 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
24 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
24 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
22 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
21 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
20 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
20 2004 象山港大型底栖动物生物多样性现状 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
18 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
13 2015