1. Brunel University Research Archive

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Results 1-10 of 14 (Search time: 0.01 seconds).
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Issue DateTitleAuthor(s)
2016Acetate ligands determine the crystal structure of CdSe nanoplatelets - a density functional theory study.Koster, RS; Fang, C; van Blaaderen, A; Dijkstra, M; van Huis, MA
6-Mar-2019Understanding the Thermodynamics and Crystal Structure of Complex Fe Containing Intermetallic Phases Formed on Solidification of Aluminium AlloysDinsdale, A; Fang, C; Que, Z; Fan, Z
2019A novel route to the coupling of molecular dynamics and phase-field simulations of crystal growthBollada, PC; Men, H; Fang, C; Jimack, PK; Fan, Z; Mullis, AM
31-Oct-2014The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulationsFang, C; Li, W-F; Koster, RS; Klimeš, J; van Blaaderen, A; van Huis, MA
9-Jul-2018An ab initio study on stacking and stability of TiAl 3 phasesFang, C; Fan, Z
1-Aug-2018A Comparative Study of Prenucleation on Zr and MgO Substrates by ab initio MD SimulationsFan, Z; Fang, C
16-Jul-2018Direct observation of Eu atoms in AlN lattice and the first-principles simulationsYin, L; Zhang, S; Wang, H; Jian, X; Wang, X; Xu, X; Liu, M; Fang, C
16-Oct-2017A doping-less junction-formation mechanism between n-silicon and an atomically thin boron layerMohammadi, V; Nihtianov, S; Fang, C
25-Jul-2017The critical assessment of data for Al-Fe based intermetallic phases formed during solidification of aluminium alloysDinsdale, AT; Fang, C; Fan, Z; Khvan, ZV
3-Sep-2018A first-principles study of the formation of atomically rough {111} MgO surface and its effect on prenucleation of MgFang, C; Fan, Z

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