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Nilanjan Roy
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The soil phosphate fractionation fallacy
NJ Barrow, A Sen, N Roy, A Debnath
Plant and Soil 459, 1-11, 2021
862021
Selective Chemical Substitution of Cu in the Structure of TiAl3 Type InPd3: Experimental and Theoretical Studies
N Roy, SK Kuila, Harshit, P Pramanik, PP Jana
European Journal of Inorganic Chemistry 2022 (26), e202200309, 2022
72022
Hydrogen storage properties of hexagonal C14 Laves phase Cu2Cd: A DFT study
N Roy, S Kumari, PP Jana, PA Deshpande
Journal of Solid State Chemistry 304, 122560, 2021
72021
A Vacancy-Driven Intermetallic Phase: Rh3Cd5−δ (δ ∼ 0.56)
B Koley, N Roy, Harshit, S Mallick, A Simonov, PP Jana
Inorganic Chemistry 60 (8), 5488-5496, 2021
72021
Crystal structure, electronic structure and phase stability of the Cu2-xMxCd (M= Zn, Ga, Ge, Sn) pseudo-binary Laves phases: effect of valence electron concentration
N Roy, SK Kuila, A Mondal, R Sikdar, S Ghanta, F Wang, PP Jana
Journal of Solid State Chemistry 313, 123283, 2022
42022
Hydrogen storage properties of ternary ordered cubic Laves phase Cu3Cd2In: Electronic structure and bonding approach
N Roy, PP Jana
Journal of Solid State Chemistry 312, 123223, 2022
32022
Synthesis, Crystal Structure, Electronic Structure, and Catalytic Properties of Ni3GaSb
N Roy, S Kumari, R Sikdar, A Sharma, Harshit, S Ghanta, S Sharma, ...
European Journal of Inorganic Chemistry 2021 (14), 1410-1418, 2021
32021
Atomic hydrogen storage in ternary InPd2Cu–electronic structure and chemical bonding approach: A DFT study
N Roy
International Journal of Hydrogen Energy 48 (91), 35639-35649, 2023
22023
Understanding formation of the InPd3 polymorphs: a DFT study
N Roy
Zeitschrift für Naturforschung B 78 (6), 355-361, 2023
22023
Structural and Theoretical Investigations on the Unique Coloring Scheme of the γ‐Brass Type Phase: Cu5+δCd8‐δ (−1.0≤δ≤0.1)
N Roy, Harshit, A Mondal, F Wang, PP Jana
Zeitschrift für anorganische und allgemeine Chemie 648 (15), e202100354, 2022
22022
Site preference and atomic ordering in the ternary Rh5Ga2As: first-principles calculations
N Roy, S Giri, Harshit, PP Jana
Zeitschrift für Kristallographie-Crystalline Materials 236 (5-7), 147-154, 2021
22021
Site preference, atomic ordering, electronic structure and chemical bonding of A3Pd5 (A= Mg, Al, Ga): First principles study
N Roy, A Chakrabarty, PP Jana
Solid State Sciences 113, 106544, 2021
22021
Site preference and atomic ordering in the structure of In3Pd5: A theoretical study
N Roy, A Chakrabarty, B Koley, T Saha-Dasgupta, PP Jana
Journal of Solid State Chemistry 290, 121567, 2020
22020
Crystal structures of two very similar 2× 2× 2 superstructures of γ-brass-related phases in ternary Ir–Cd–Cu system
S Ghanta, N Roy, PP Jana
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2020
22020
Ni3InSb: Synthesis, Crystal Structure, Electronic Structure, and Magnetic Properties
SK Kuila, Harshit, N Roy, S Ghanta, R Pan, K Buxi, P Pramanik, AK Bera, ...
Inorganic Chemistry 62 (19), 7304-7314, 2023
12023
Ahead by a Century: Discovery of Laves Phases Assisted by Machine Learning
R Sikdar, N Roy, B Selvaratnam, V Mishra, D Mumbaraddi, A Mondal, ...
Inorganic Chemistry, 2024
2024
An Orbital Space Chemical Bonding Approach on the Hydrogen Induced Structural Transformation in MPd3 (M= Mg, in, Tl) Intermetallic Compounds
N Roy, A Dutta, K Buxi
Available at SSRN 4745258, 2024
2024
The search for optimum host-guest interactions: Atomic hydrogen storage properties of the novel ternary ordered intermetallic compound Cu3ZnSb: A DFT study
N Roy
International Journal of Hydrogen Energy 50, 854-864, 2024
2024
Influence of the Homoatomic and Multicenter Bonding on the Formation of CsCl‐type RhCd
N Roy, S Giri
Zeitschrift für anorganische und allgemeine Chemie, e202300232, 2024
2024
A Theoretical Study on the Unique Site Preference and Atomic Ordering of Hexagonal CoSn‐type Ternary Intermetallic Compound Co3Ge2Sn
N Roy
Zeitschrift für anorganische und allgemeine Chemie, e202300127, 2023
2023
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Articles 1–20