| Rise of silicene: A competitive 2D material J Zhao, H Liu, Z Yu, R Quhe, S Zhou, Y Wang, CC Liu, H Zhong, N Han, ... Progress in Materials Science 83, 24-151, 2016 | 815 | 2016 |
| Hydrogen storage materials for mobile and stationary applications: current state of the art Q Lai, M Paskevicius, DA Sheppard, CE Buckley, AW Thornton, MR Hill, ... ChemSusChem 8 (17), 2789-2825, 2015 | 351 | 2015 |
| Structures, mobilities, electronic and magnetic properties of point defects in silicene J Gao, J Zhang, H Liu, Q Zhang, J Zhao Nanoscale 5 (20), 9785-9792, 2013 | 268 | 2013 |
| Silicene on substrates: a way to preserve or tune its electronic properties H Liu, J Gao, J Zhao The Journal of Physical Chemistry C 117 (20), 10353-10359, 2013 | 261 | 2013 |
| From boron cluster to two-dimensional boron sheet on Cu (111) surface: growth mechanism and hole formation H Liu, J Gao, J Zhao Scientific reports 3 (1), 3238, 2013 | 248 | 2013 |
| Atomistic insight into the oxidation of monolayer transition metal dichalcogenides: from structures to electronic properties H Liu, N Han, J Zhao Rsc Advances 5 (23), 17572-17581, 2015 | 222 | 2015 |
| Tuning the band gap in silicene by oxidation Y Du, J Zhuang, H Liu, X Xu, S Eilers, K Wu, P Cheng, J Zhao, X Pi, ... ACS nano 8 (10), 10019-10025, 2014 | 202 | 2014 |
| Quasi-freestanding epitaxial silicene on Ag (111) by oxygen intercalation Y Du, J Zhuang, J Wang, Z Li, H Liu, J Zhao, X Xu, H Feng, L Chen, K Wu, ... Science Advances 2 (7), e1600067, 2016 | 152 | 2016 |
| Operando visualization of the hydrogen evolution reaction with atomic-scale precision at different metal–graphene interfaces T Kosmala, A Baby, M Lunardon, D Perilli, H Liu, C Durante, C Di Valentin, ... Nature Catalysis 4 (10), 850-859, 2021 | 99 | 2021 |
| Band Gap in Magnetite above Verwey Temperature Induced by Symmetry Breaking H Liu, C Di Valentin The Journal of Physical Chemistry 121, 5736−25742, 2017 | 94 | 2017 |
| B 28: the smallest all-boron cage from an ab initio global search J Zhao, X Huang, R Shi, H Liu, Y Su, RB King Nanoscale 7 (37), 15086-15090, 2015 | 76 | 2015 |
| Band gap opening in bilayer silicene by alkali metal intercalation H Liu, N Han, J Zhao Journal of Physics: Condensed Matter 26 (47), 475303, 2014 | 52 | 2014 |
| Point defects in epitaxial silicene on Ag (111) surfaces H Liu, H Feng, Y Du, J Chen, K Wu, J Zhao 2D Materials 3 (2), 025034, 2016 | 45 | 2016 |
| Silicene on substrates: interaction mechanism and growth behavior H Liu, J Gao, J Zhao Journal of Physics: Conference Series 491 (1), 012007, 2014 | 43 | 2014 |
| An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT H Liu, G Seifert, C Di Valentin The Journal of chemical physics 150 (9), 2019 | 28 | 2019 |
| Possible formation of graphyne on transition metal surfaces: a competition with graphene from the chemical potential point of view N Han, H Liu, S Zhou, J Zhao The Journal of Physical Chemistry C 120 (27), 14699-14705, 2016 | 27 | 2016 |
| Bulk-terminated or reconstructed Fe 3 O 4 (001) surface: water makes a difference H Liu, C Di Valentin Nanoscale 10, 11021, 2018 | 25 | 2018 |
| Interaction between post-graphene group-iv honeycomb monolayers and metal substrates: Implication for synthesis and structure control N Gao, H Liu, S Zhou, Y Bai, J Zhao The Journal of Physical Chemistry C 121 (9), 5123-5129, 2017 | 24 | 2017 |
| Shaping magnetite nanoparticles from first principles H Liu, C Di Valentin Physical Review Letters 123 (18), 186101, 2019 | 23 | 2019 |
| “Inside out” growth method for high-quality nitrogen-doped graphene S Fiori, D Perilli, M Panighel, C Cepek, A Ugolotti, A Sala, H Liu, ... Carbon 171, 704-710, 2021 | 20 | 2021 |
