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Issue Date
Title
Author(s)
2009-06
The assessed phase diagram of Ti-C system in Fig. 1 is taken from [1998Oka]. Other recent assessments of this system were done by [1995Alb], [1996Jon1], and [1996Sei]. The system consists of two terminal solids aTi and bTi and bTi and a refractory monocarbide TiC. The phase Ti2C does not appear in the equilibriam phase diagram, as there appears to be a tendency of carbon ordering at the stoichiometry. Other phases present are liquid and graphite (C). Two eutectic and one peritectoid reaction appear in this system at 1646, 2776, and 920 °C, respectively
Bandyopadhyay, Debashis
2009-03
The study of the electronic structures and properties of pure and transition metal-doped silicon nanoclusters: a density functional theory approach
Bandyopadhyay, Debashis
2021-07
Study of electronic structure, stabilities and electron localization behavior of AgPbn (n=1–14) nanoclusters: A first principal investigation
Bandyopadhyay, Debashis
2011-05
Chemisorptions effect of oxygen on the geometries, electronic and magnetic properties of small size Nin (n = 1-6) clusters
Bandyopadhyay, Debashis
2022-08
Insights into the electronic structure and stability of TiMgn (n = 1–12) clusters: Validation of electron counting rule
Bandyopadhyay, Debashis
2010-01
Effect of Transition Metal Doping on Hydrogenated Germanium Nanocages: A Density Functional Investigation
Bandyopadhyay, Debashis
2012
Architecture, electronic structure and stability of TM@Ge(n) (TM = Ti, Zr and Hf; n = 1-20) clusters: a density functional modeling
Bandyopadhyay, Debashis
2008-11
The electronic structures and properties of transition metal-doped silicon nanoclusters: A density functional investigation
Bandyopadhyay, Debashis
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Subject
5
Density Functional Theory (DFT)
3
Nanoclusters
2
Ab initio
2
DFT
2
Embedding energy (EE)
2
IR and Raman
1
Charge transfer
1
Density of states (DOS)
1
Electron affinity (EA)
1
Electron counting
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2
2020 - 2022
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2010 - 2019
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2008 - 2009
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