| Valence state and spin transitions of iron in Earth's mantle silicates F Zhang, AR Oganov Earth and Planetary Science Letters 249 (3-4), 436-443, 2006 | 132 | 2006 |
| First-principles studies of HF molecule adsorption on intrinsic graphene and Al-doped graphene Y Sun, L Chen, F Zhang, D Li, H Pan, J Ye Solid State Communications 150 (39-40), 1906-1910, 2010 | 103 | 2010 |
| Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release Q Gu, L Gao, Y Guo, Y Tan, Z Tang, KS Wallwork, F Zhang, X Yu Energy & Environmental Science 5 (6), 7590-7600, 2012 | 92 | 2012 |
| Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion F Zhang, AM Walker, K Wright, JD Gale Journal of Materials Chemistry 20 (46), 10445-10451, 2010 | 50 | 2010 |
| Iron silicides at pressures of the Earth's inner core F Zhang, AR Oganov Geophysical Research Letters 37 (2), 2010 | 45 | 2010 |
| Importance of dispersion in density functional calculations of cesium chloride and its related halides F Zhang, JD Gale, BP Uberuaga, CR Stanek, NA Marks Physical Review B 88 (5), 054112, 2013 | 44 | 2013 |
| Mechanisms of Al3+ incorporation in MgSiO3 post-perovskite at high pressures F Zhang, AR Oganov Earth and planetary science letters 248 (1-2), 69-76, 2006 | 35 | 2006 |
| Elastic and thermodynamic properties of vanadium nitride under pressure and the effect of metallic bonding on its hardness CY Pu, DW Zhou, DX Bao, C Lu, XL Jin, TC Su, FW Zhang Chinese Physics B 23 (2), 026201, 2013 | 22 | 2013 |
| Study on the electronic structures of the reduced anatase TiO2 by the first-principle calculation Z Cheng, T Liu, C Yang, H Gan, F Zhang, J Chen Journal of Physics and Chemistry of Solids 73 (2), 302-307, 2012 | 19 | 2012 |
| Coupled (H+, M3+) substitutions in forsterite F Zhang, K Wright Geochimica et Cosmochimica Acta 74 (20), 5958-5965, 2010 | 17 | 2010 |
| Pressure-induced phase transition of BiOF: novel two-dimensional layered structures D Zhou, C Pu, C He, F Zhang, C Lu, G Bao Physical Chemistry Chemical Physics 17 (6), 4434-4440, 2015 | 16 | 2015 |
| Mechanical and thermodynamic properties of the monoclinic and orthorhombic phases of SiC2N4 under high pressure from first principles NX Miao, CY Pu, CZ He, FW Zhang, C Lu, ZW Lu, DW Zhou Chinese Physics B 23 (12), 127101, 2014 | 16 | 2014 |
| Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2 Z Cheng, T Liu, C Yang, H Gan, J Chen, F Zhang Journal of alloys and compounds 546, 246-252, 2013 | 14 | 2013 |
| Prediction of stable Cu-Li binary intermetallics from first-principles calculations: Stoichiometries, crystal structures, and physical properties J Yu, D Zhou, C Pu, X Tang, F Zhang Journal of Alloys and Compounds 766, 640-648, 2018 | 13 | 2018 |
| The electronic structures and optical properties of B, C or N doped BaTiO3 Z Teng, J Jiang, G Chen, C Ma, F Zhang AIP Advances 8 (9), 2018 | 13 | 2018 |
| Two-dimensional arsenic monolayer sheet predicted from first-principles CY Pu, XT Ye, HL Jiang, FW Zhang, ZW Lu, JB He, DW Zhou Chinese Physics B 24 (3), 036301, 2015 | 12 | 2015 |
| Explaining the dependence of M-site diffusion in forsterite on silica activity: a density functional theory approach JMR Muir, M Jollands, F Zhang, AM Walker Physics and Chemistry of Minerals 47, 1-16, 2020 | 11 | 2020 |
| Lithium defects and diffusivity in forsterite F Zhang, K Wright Geochimica et cosmochimica acta 91, 32-39, 2012 | 11 | 2012 |
| Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom H Zhao, F Zhang, X Guo, Q Zhang, T Liu Journal of Physics and Chemistry of Solids 71 (12), 1639-1643, 2010 | 11 | 2010 |
| Influence in the absorption spectrum of PbWO4 crystal by K+ doping F Zhang, Q Zhang, Y Sun, K Tao Physica B: Condensed Matter 355 (1-4), 427-431, 2005 | 11 | 2005 |
