Dissociation of oxygen on pristine and nitrogen-doped carbon nanotubes: a spin-polarized density functional study D Srivastava, T Susi, M Borghei, L Kari
RSC Advances 4 (29), 15225-15235, 2014
40 2014 First-principles study of layered antiferromagnetic CuCrX2 (X= S, Se and Te) D Srivastava, GC Tewari, M Karppinen, RM Nieminen
Journal of Physics: Condensed Matter 25 (10), 105504, 2013
31 2013 Fermi surface topology and large magnetoresistance in the topological semimetal candidate PrBi A Vashist, RK Gopal, D Srivastava, M Karppinen, Y Singh
Physical Review B 99 (24), 245131, 2019
22 2019 Electronic band structures of pristine and chemically modified cellulose allomorphs D Srivastava, MS Kuklin, J Ahopelto, AJ Karttunen
Carbohydrate polymers 243, 116440, 2020
17 2020 Possible multigap type-I superconductivity in the layered boride J Singh, A Jayaraj, D Srivastava, S Gayen, A Thamizhavel, Y Singh
Physical Review B 97 (5), 054506, 2018
10 2018 Dissociative adsorption of O 2 on negatively charged nitrogen-doped single-walled carbon nanotubes: first-principles calculations D Srivastava, K Laasonen
RSC advances 6 (87), 84155-84163, 2016
9 2016 Pressure dependence of the boson peak for repulsive homogeneous potentials D Srivastava, SK Sarkar
Physical Review B 85 (2), 024206, 2012
9 2012 Tailoring phonon modes of few-layered MoS2 by in-plane electric field AGAS Sreemanta Mitra, Divya Srivastava, Shib Shankar Singha, Saurav Dutta ...
npj 2D Materials and Applications 4 (596), 2020
8 2020 Thermoelectric properties of Cu and Cr disordered CuCrX2 (X= S, Se): a first principles study D Srivastava, GC Tewari, M Karppinen
Journal of Physics: Condensed Matter 26 (50), 505501, 2014
8 2014 Efficacies of dopants in thermoelectric BiOCuSe TL Chou, GC Tewari, D Srivastava, A Yamamoto, TS Chan, YY Hsu, ...
Materials Chemistry and Physics 177, 73-78, 2016
7 2016 Fe3Se4: a possible ferrimagnetic half-metal? GC Tewari, D Srivastava, R Pohjonen, O Mustonen, AJ Karttunen, ...
Journal of Physics: Condensed Matter 32 (45), 455801, 2020
6 2020 p-type to n-type conductivity transition in thermoelectric CoSbS HS Kousar, D Srivastava, AJ Karttunen, M Karppinen, GC Tewari
APL Materials 10 (9), 2022
5 2022 Isovalent substitution effects on thermoelectric transport properties of CoSbX (X= S, Se, Te) system HS Kousar, D Srivastava, M Karppinen, GC Tewari
Journal of Physics: Condensed Matter 31 (40), 405704, 2019
4 2019 Evidence of scaling in the high pressure phonon dispersion relations of some elemental solids D Srivastava, UV Waghmare, SK Sarkar
The Journal of Chemical Physics 141 (4), 2014
4 2014 Enhanced thermoelectric performance of skutterudite Co1− yNiySn1. 5Te1. 5− x with switchable conduction behavior SM Valiyaveettil, M Qorbani, CR Hsing, TL Chou, L Paradis-Fortin, ...
Materials Today Physics 28, 100889, 2022
3 2022 Thermodynamic Properties of Crystalline Cellulose Allomorphs Studied with Dispersion-Corrected Density Functional Methods DSJAAJ Karttunen
Molecules 27 (6240), 2022
3 2022 Probing lattice dynamics in ST 12 phase germanium nanowires by Raman spectroscopy S Raha, D Srivastava, S Biswas, A Garcia-Gil, AJ Karttunen, JD Holmes, ...
Applied Physics Letters 119 (23), 2021
3 2021 Tunable Low‐Temperature Thermoelectric Transport Properties in Layered CuCr(S1‐x Sex )2 System HS Kousar, D Srivastava, M Karppinen, GC Tewari
Zeitschrift für anorganische und allgemeine Chemie 649 (14), e202300079, 2023
2 2023 Visualizing Noncovalent Interactions and Property Prediction of Submicron‐Sized Charge‐Transfer Crystals from ab‐initio Determined Structures ZP Lv, D Srivastava, K Conley, TP Ruoko, H Xu, M Lightowler, X Hong, ...
Small Methods, 2301229, 2024
2024 Signature of elementary excitations in Se-substituted layered triangular-lattice antiferromagnet CuCrS2 GC Tewari, HS Kousar, D Srivastava, M Karppinen
Journal of Magnetism and Magnetic Materials 590, 171688, 2024
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