| Hydrogen clathrate structures in rare earth hydrides at high pressures: possible route to room-temperature superconductivity F Peng, Y Sun, CJ Pickard, RJ Needs, Q Wu, Y Ma Physical review letters 119 (10), 107001, 2017 | 675 | 2017 |
| Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures H Fu, D Li, F Peng, T Gao, X Cheng Computational Materials Science 44 (2), 774-778, 2008 | 374 | 2008 |
| Crystalline LiN5 Predicted from First-Principles as a Possible High-Energy Material F Peng, Y Yao, H Liu, Y Ma The journal of physical chemistry letters 6 (12), 2363-2366, 2015 | 158 | 2015 |
| Superconductivity in Pristine at Ultrahigh Pressure Z Chi, X Chen, F Yen, F Peng, Y Zhou, J Zhu, Y Zhang, X Liu, C Lin, ... Physical review letters 120 (3), 037002, 2018 | 122 | 2018 |
| Predicted lithium–boron compounds under high pressure F Peng, M Miao, H Wang, Q Li, Y Ma Journal of the American Chemical Society 134 (45), 18599-18605, 2012 | 122 | 2012 |
| Ab initio study of phase transition and thermodynamic properties of PtN F Peng, H Fu, X Yang Physica B: Condensed Matter 403 (17), 2851-2855, 2008 | 113 | 2008 |
| Gold as a 6p-element in dense lithium aurides G Yang, Y Wang, F Peng, A Bergara, Y Ma Journal of the American Chemical Society 138 (12), 4046-4052, 2016 | 108 | 2016 |
| Stable calcium nitrides at ambient and high pressures S Zhu, F Peng, H Liu, A Majumdar, T Gao, Y Yao Inorganic Chemistry 55 (15), 7550-7555, 2016 | 93 | 2016 |
| Transition phase and thermodynamic properties of PtC from first-principles calculations F Peng, HZ Fu, XD Yang Solid state communications 145 (3), 91-94, 2008 | 83 | 2008 |
| A new allotrope of nitrogen as high-energy density material MJ Greschner, M Zhang, A Majumdar, H Liu, F Peng, JS Tse, Y Yao The Journal of Physical Chemistry A 120 (18), 2920-2925, 2016 | 81 | 2016 |
| High-pressure phase stability and superconductivity of pnictogen hydrides and chemical trends for compressed hydrides Y Fu, X Du, L Zhang, F Peng, M Zhang, CJ Pickard, RJ Needs, DJ Singh, ... Chemistry of Materials 28 (6), 1746-1755, 2016 | 79 | 2016 |
| First-principles calculations of thermodynamic properties of TiB2 at high pressure F Peng, HZ Fu, XL Cheng Physica B: Condensed Matter 400 (1-2), 83-87, 2007 | 77 | 2007 |
| Exotic stable cesium polynitrides at high pressure F Peng, Y Han, H Liu, Y Yao Scientific reports 5 (1), 16902, 2015 | 62 | 2015 |
| Stable xenon nitride at high pressures F Peng, Y Wang, H Wang, Y Zhang, Y Ma Physical Review B 92 (9), 094104, 2015 | 55 | 2015 |
| N 2 H: a novel polymeric hydronitrogen as a high energy density material K Yin, Y Wang, H Liu, F Peng, L Zhang Journal of Materials Chemistry A 3 (8), 4188-4194, 2015 | 55 | 2015 |
| High-pressure phase transitions and structures of topological insulator BiTeI Y Chen, X Xi, WL Yim, F Peng, Y Wang, H Wang, Y Ma, G Liu, C Sun, ... The Journal of Physical Chemistry C 117 (48), 25677-25683, 2013 | 54 | 2013 |
| Superconductivity of pressure-stabilized vanadium hydrides X Li, F Peng Inorganic chemistry 56 (22), 13759-13765, 2017 | 50 | 2017 |
| The phase transition and the elastic and thermodynamic properties of AlN: First principles F Peng, D Chen, H Fu, X Cheng Physica B: Condensed Matter 403 (23-24), 4259-4263, 2008 | 50 | 2008 |
| First-principles calculations on elasticity of OsN2 under pressure F Peng, D Chen, X Yang Solid state communications 149 (47-48), 2135-2138, 2009 | 46 | 2009 |
| Unexpected trend in stability of Xe–F compounds under pressure driven by Xe–Xe covalent bonds F Peng, J Botana, Y Wang, Y Ma, M Miao The journal of physical chemistry letters 7 (22), 4562-4567, 2016 | 44 | 2016 |
