Browsing by Author Fang, C

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Issue DateTitleAuthor(s)
27-Sep-2022Ab Initio Molecular Dynamics Investigation of Prenucleation at Liquid–Metal/Oxide Interfaces: An OverviewFang, C; Fan, Z
9-Jul-2018An ab initio study on stacking and stability of TiAl 3 phasesFang, C; Fan, Z
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
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
27-Apr-2023Atomic Ordering and Interfacial Interaction at Liquid-Mg/SiC{0 0 0 1} Interfaces: An Ab Initio Molecular Dynamics StudyFang, C; Fan, Z
28-Mar-2022Atomic Ordering at the Interfaces between Liquid Aluminum and Polar AlN{0 0 0 1} SubstratesFang, C; Fan, Z
2022Atomistic simulation of magnesia, alumina, spinels and yttriaYasmin, Sultana
12-Oct-2021Author Correction: A doping-less junction-formation mechanism between n-silicon and an atomically thin boron layerMohammadi, V; Nihtianov, S; Fang, C
1-Aug-2018A Comparative Study of Prenucleation on Zr and MgO Substrates by ab initio MD SimulationsFan, Z; 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
13-Feb-2022Crystal Chemistry and Electronic Properties of the Al-Rich Compounds, Al2Cu, ω-Al7Cu2Fe and θ-Al13Fe4 with Cu SolutionFang, C; Souissi, M; Que, Z; Fan, Z
21-Apr-2021Crystal chemistry and electronic structure of the β-AlFeSi phase from first-principlesFang, C; Que, Z; Fan, Z
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
20-Sep-2022Effect of Segregation of Sc, Y and La Atoms on Prenucleation at the Liquid-Al/γ-Al2O3{1 1 1} InterfacesFang, C; Fan, Z
2017Effect of substrate chemistry on prenucleation by ab initio MD simulationFang, C; Men, H; Fan, Z
18-Oct-2022Effects of Si solution in θ-Al13Fe4 on phase transformation between Fe-containing intermetallic compounds in Al alloysQue, Z; Fang, C; Mendis, C; Wang, Y; Fan, Z
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
9-Feb-2021Interfaces between crystalline Si and amorphous B: Interfacial interactions and charge barriersFang, PX; Nihtianov, S; Sberna, P; Fang, C
22-Aug-2022Interfacial charge transfer and Schottky barriers at c-Si/a-In heterojunctionsFang, PX; Nihtianov, S; Sberna, P; de Wijs, GA; Fang, C