My Research and Publication

About My Research

I am interested both in experimental and theoretical research.

My current research interest focuses on understanding fundamental features that control the electronic structure and properties of transitional metal-doped pure and hybrid semiconductor nanoclusters, superatoms, nanotubes, lithium-ion batteries, and pollution control using nanoclusters and nanotubes, water electrolysis, hydrogen storage, and hydrogen fuel, etc. I use different wave function-based methods in 'quantum chemistry' and 'Density Functional Theory (DFT)' based on the problems.

My experimental research is on studying magnetism at low temperatures using Mossbauer spectroscopy. Most of my experimental work is closely related to industrial materials, metallurgy, minerals sciences, and fuel research.

I also have a pretty good contribution to calculating the Ti-C-based ternary alloys phase diagram, which is helpful in defense.

I am regular reviewer of the following journals in different fields:

i. Physical Chemistry Chemical Physics (Royal Society of Chemistry)

ii. Journal of Physical Chemistry C (American Chemical Society)

iii. Scientific report (Nature)

iv. European Physical Journal D (Springer)

v. European Physical Journal B (Springer)

vi. Journal of Physics: Condensed Matter (Institute of Physics)

vii. Materials Research Express (Institute of Physics)

viii. Journal of Cluster Science (Springer)

ix. Surface Science (Elsevier)

x. International Journal of Hydrogen Energy (Springer)

xi. Molecular Physics (Taylor & Francis)

xii. Journal of Materials Science

xiii. ACS Omega

and many more journals

DST Project ongoing 2023 as PI from 21 March 2023 for 36 months

File Name :CRG/2022/003249

Project Title :Study of renewable photocatalytic water splitting for hydrogen generation and storage in hydrogen fuel cell

Proposed amount: 28,72,826/-

Completed DST project (as PI):
"Substrate Supported Transition Metal Doped Alkaline Earth Clusters as Hydrogen Storage Materials and Their Applications in Hydrogen Fuel Cell" by Debashis Bandyopadhyay

Reference Number: 182017002877, Dated: 27th July 2017.

Project amount: INR: 2413200/-

List of Publication

Sl. No	IF	Citation
25	15.75	7	Study of materials using Mössbauer spectroscopy, Debashis Bandyopadhyay, International Materials Reviews 51 (3) (2006) 171-208; doi: 10.1063/1.4873009 1498, 1591, IF. 19.559, Taylor and Francis, Single authorship review article
53	4.682		Insight into Stabilities and Magnetism of EuGen (n = 1-20) nanoclusters: An Assessment of Electronic Aromaticity, Ravi Trivedi, Antara Banerjee and Debashis Bandyopadhyay, Journal of Materials Science, 2022 (Published on line on 19th October 2022) https://doi.org/10.1007/s10853-922-07834-0
52	3.844		Insights into the electronic structure and stability of TiMgn (n = 1–12) clusters: Validation of electron counting rule, Soham Chatterjee , Debashis Bandyopadhyay, Materials Today Communications 32 (2022) 103860, https://doi.org/10.1016/j.mtcomm.2022.103860
51	2.781		Ionization Energies and Ground State Structures of Neutral La_n (n=2-14) Clusters: A Combined Experimental and Theoretical Investigations, Soumen Bhattacharyya, Debashis Bandyopadhyay, Sheo Mukund, Prasenjit Sen, Sanjay Nakhate, Journal of Physical Chemistry A, 126 (20) (2022) 3135-3144, https://doi.org/10.1021/acs.jpca.2c00967
50	7.139		Insights into catalytic behavior of TiMg_n (n=1-12) nanoclusters in hydrogen storage and dissociation process: A DFT investigation, Debashis Bandyopadhyay, Soham Chatterjee, Ravi Trivedi, and Kapil Dhaka, Int. J. Hydrogen Energy, 47(2022) 13418-13429, (Online first), https://doi.org/10.1016/j.ijhydene.2022.02.091
49	3.382	4	Study of electronic structure, stabilities and electron localization behavior of AgPbn (n= 1–14) nanoclusters: A first principal investigation. R Trivedi, A Banerjee, Debashis Bandyopadhyay, Physica E: Low-dimensional Systems and Nanostructures 131, 114725, https://doi.org/10.1016/j.physe.2021.114725
48	1.339	1	Ionization energies and structures of small lanthanum oxide clusters (La₂O₃)_n.LaO (n = 1-3), Soumen Bhattacharyya, Prasenjit Sen, Sheo Mukund, Suresh Yarlagadda, Debashis Bandyopadhyay and Sanjay G. Nakhate, Eur. Phys. J. D (2019) 73: 158 DOI: 10.1140/epjd/e2019-100185-5
47	1.887	16	Electronic structure and stability of anionic AuGe_n(n=1-20) clusters and assemblies: A density functional modelling, Debashis Bandyopadhyay, Structural Chemistry, (2019) 30: 955-963, DOI: 10.1007/s11224-018-1239-5, Springer
46	4.22	10	Insights of the role of shell closing model and NICS in the stability of NbGe_n (n = 7-18) clusters: A first principle investigation, Ravi Trivedi and Debashis Bandyopadhyay, Journal of Materials Science, 2019 (54) 515-528, https://doi.org/10.1007/s10853-018-2858-3, IF. 4.22, Springer
45	4.22	10	Evolution of electronic and vibrational properties of M@X_n (M = Ag, Au, X = Ge, Si, n=10, 12, 14) clusters: a density functional modeling, Ravi Trivedi and Debashis Bandyopadhyay, Journal of Materials Science, 2018 (53)8263–8273, https://doi.org/10.1007/s10853-018-2002-4, IF. 4.22, Springer
44	7.139	35	Study of adsorption and dissociation of H2 molecule on Rg_nRh (n=1-10) clusters: A first principle investigation, Ravi Kumar Trivedi and Debashis Bandyopadhyay, International Journal of Hydrogen Energy, 2016 (41) 20113-20121, IF. 5.826, Elsevier
43	4.39	12	Magnetism, structures and stabilities of cluster assembled TM@Si_n nanotubes (TM=Cr, Mn and Fe): A density functional study, Kapil Dhaka and Debashis Bandyopadhyay, Dalton transactions, 2016 (45) 12432-12443, IF. 4.39, Royal Society of Chemistry (RSC).
42	3.36	23	Study of electronic structure, stability and magnetic quenching of CrGe_n (n=1-17) clusters: A density functional investigation, Kapil Dhaka, Debashis Bandyopadhyay, RSC Advances, 15 (2015) 83004-83012, IF. 3.36, Royal Society of Chemistry (RSC)
41	7.139	28	Hydrogen storage in small size Mg_nCo clusters: A density functional study, Ravi Trivedi, Debashis Bandyopadhyay, International Journal of Hydrogen Energy, 40 (2015) 12727-12735, IF. 4.229, Elsevier
40	3.36	44	Study of electronic properties, stabilities and magnetic quenching of molybdenum-doped germanium clusters: a density functional investigation, Ravi Trivedi, Kapil Dhaka, Debashis Bandyopadhyay RSC Advances 4 (2015) 64825-64834, IF. 3.049, Royal Society of Chemistry (RSC)
39		2	Magnetic behavior in Cr₂@Ge_n (1≤ n≤ 12) clusters: A density functional investigation, Kapil Dhaka, Ravi Trivedi, Debashis Bandyopadhyay, AIP Conference Proceedings, (2014), doi: 10.1063/1.4873009 1498, 1591
38			Shell Magnetism of Chromium Doped Germanium Superatom, Kapil Dhaka, Debashis Bandyopadhyay, Advanced Science Letters 20 (3) (2014) 1135-1137, IF: 1,253
37	1.73	22	Electronic structure and stabilities of Ni-doped germanium nanoclusters: a density functional modeling study, Kapil Dhaka, Ravi Trivedi, Debashis Bandyopadhyay, Journal of molecular modeling 19 (4) (2013) 1473-1488, IF. 1.73, Springer
36	1.73	43	Architectures, electronic structures, and stabilities of Cu-doped Gen clusters: density functional modeling, Debashis Bandyopadhyay, Journal of molecular modeling 18 (8) (2012) 3887-3902, IF. 1.507, Springer, Single authorship publication
35	1.73	28	Chemisorptions effect of oxygen on the geometries, electronic and magnetic properties of small size Ni_n (n= 1-6) clusters, Debashis Bandyopadhyay, Journal of molecular modeling 18 (2012) 737-749, IF. 1.506, Springer, Single authorship publication
34	1.73	38	Architecture, electronic structure and stability of TM@Ge_n (TM= Ti, Zr and Hf; n= 1-20) clusters: a density functional modeling, Manis Kumar, Nilanjana Bhattacharyya, Debashis Bandyopadhyay, Journal of Molecular Modeling 18 (2012) 405-418, IF. 1.507, Springer
33	2.781	44	New Insights into Applicability of Electron-Counting Rules in Transition Metal Encapsulating Ge Cage Clusters, Debashis Bandyopadhyay, Prabshran Kaur, Prasenjit Sen, The Journal of Physical Chemistry A 114 (50) (2010), 12986-12991, IF. 2.836, Cited: 20, American Chemical Society (ACS).
32	2.781	96	Density functional investigation of structure and stability of Ge_n and Ge_nNi (n= 1− 20) clusters: validity of the electron counting rule, Debashis Bandyopadhyay, Prasenjit Sen, The Journal of Physical Chemistry A 114 (4) (2010) 1835-1842, IF. 2.836, American Chemical Society (ACS).
31	0.46	3	Effect of Transition Metal Doping on Hydrogenated Germanium Nanocages: A Density Functional Investigation, M Kumar, BJ Singh, S Kajjam, D. Bandyopadhyay, Journal of Computational and Theoretical Nanoscience 7 (1) (2010) 296-301
30	1.393	13	Density functional study of the electronic structure and properties of lithium intercalated graphite, Debashis Bandyopadhyay, The European Physical Journal D, 54 (3) (2009) 643-655, IF. 1.393, Springer, Single authorship publication
29	3.874	18	Study of pure and doped hydrogenated germanium cages: a density functional investigation, Debashis Bandyopadhyay, Nanotechnology 20 (27) (2009) 275209, IF. 3.399, Institute of Physics (IOP), Single authorship publication
28	2.178	18	The study of the electronic structures and properties of pure and transition metal-doped silicon nanoclusters: a density functional theory approach, Debashis Bandyopadhyay, Molecular Simulation 35 (5) (2009) 381-394, IF: 2.178, Taylor and Francis, Single authorship publication
27	2.348	30	The electronic structures and properties of transition metal-doped silicon nanoclusters: A density functional investigation, Debashis Bandyopadhyay, Manis Kumar, Chemical Physics 353 (1) (2008) 170-176, IF. 2.997, Elsevier
26	2.546	39	A density functional theory-based study of the electronic structures and properties of cage like metal doped silicon clusters, Debashis Bandyopadhyay, Journal of Applied Physics 104 (8) (2008) 4308, IF. 2.328, Institute of Physics (IOP), Single authorship publication
25	19.559	7	Study of materials using Mössbauer spectroscopy, Debashis Bandyopadhyay, International Materials Reviews 51 (3) (2006) 171-208; doi: 10.1063/1.4873009 1498, 1591, IF. 19.559, Taylor and Francis, Single authorship review article
24	1.13	15	Study of kinetics of iron minerals in coal by ⁵⁷Fe Mössbauer and FT-IR spectroscopy during natural burning, Debashis Bandyopadhyay, Hyperfine interactions 163 (1-4) (2005) 167-176, Springer
23	1.301	60	The Ti-Si-C system (titanium-silicon-carbon), Debashis Bandyopadhyay, Journal of phase equilibria and diffusion 25 (5) (2004) 415-420, IF. 1.421, Springer
22	1.549	9	The C-Ti-Zr System (Carbon–Zirconium-Titanium), *D. Bandyopadhyay*, RC Sharma, N Chakraborti, J. Phase Equilibria and Diffusion 22 (1) (2001) 61, IF. 1.421, Springer
21			Calculation of the Debye temperature and study of the lattice dynamics of Fe_80-xNi_xCr₂₀ by ⁵⁷Fe Mössbauer spectroscopy, D. Bandyopadhyay, RM Singru, AK Majumdar, Zeitschrift für Metallkunde 92 (4) (2001) 367-369, Cited: 1, Deutsche Gesellschaft fu¨r Materialkunde, Carl Hanser Verlag
20	1.549	9	The C-Hf-Ti system (carbon-hafnium-titanium), *D. Bandyopadhyay*, RC Sharma, N Chakraborti, Journal of phase equilibria 21 (6) (2000) 535-538, IF. 1.421, Springer
19	4.765	23	Study of the roasting of chalcopyrite minerals by ⁵⁷Fe Mössbauer spectroscopy, D. Bandyopadhyay, RM Singru, AK Biswas, Minerals engineering 13 (8) (2000) 973-978, IF. 4.765, Cited: 23, Elsevier
18	1.549	4	Study of the effect of annealing on the hyperfine field distributions in Fe₇₉B₁₆Si₅ Metallic Glass, D. Bandyopadhyay, Hyperfine Interactions, 131 (2000) 111-120, Cited: 4, Springer, Single authorship publication
17	1.549	4	The Ti-VC system (titanium-vanadium-carbon), D. Bandyopadhyay, RC Sharma, N Chakraborti, Journal of phase equilibria 21 (2) (2000) 199-203, IF. 1.315, Cited: 1, Springer
16	1.549	16	The Ti-Co-C system (titanium-cobalt-carbon), D. Bandyopadhyay, RC Sharma, N Chakrabort, Journal of phase equilibria 21 (2) (2000) 179-185, IF. 1.315, Cited: 4, Springer
15	1.549	26	The Ti-Al-C system (titanium-aluminum-carbon), D. Bandyopadhyay, RC Sharma, N Chakraborti, Journal of phase equilibria 21 (2) (2000) 195-198, IF.1.315, Cited: 16, Springer
14	1.549	32	The Ti-Ni-C system (titanium-nickel-carbon), D. Bandyopadhyay, RC Sharma, N Chakraborti, Journal of phase equilibria 21 (2) (2000) 186-191, IF. 1.315, Cited: 20, Springer
13	1.549	15	The Ti-N-C system (titanium-nitrogen-carbon), D. Bandyopadhyay, RC Sharma, N Chakraborti, Journal of phase equilibria 21 (2) (2000) 192-194, IF. 1.315, Cited: 8, Springer
12	1.549	10	The C-Nb-Ti system (carbon-niobium-titanium), D. Bandyopadhyay, R Sharma, N Chakraborti, Journal of phase equilibria 21 (1) (2000) 102-104, IF. 1.315, Cited: 4, Springer
11			Study of hyperfine field distributions in the alloy Fe₅₄Ni₂₆Cr₂₀ by using ⁵⁷Fe Mössbauer spectroscopic technique, Debashis Bandyopadhyay, Zeitschrift für Metallkunde 91 (2) (2000) 171-174, Cited: 2, , Deutsche Gesellschaft fu¨r Materialkunde, Carl Hanser Verlag, Single authorship publication
10		2	Magnetic phase transitions in Fe_80-xNi_xCr₂₀ (14≤ x≤ 30) alloy studied by using ⁵⁷Fe Mössbauer spectroscopy, D. Bandyopadhyay, RM Singru, AK Majumdar, Hyperfine Interactions 122 (3-4) (1999) 239-252, Cited: 2, Springer
9	4.641	3	A study of the effect of annealing on the hyperfine field distributions in Fe₇₉B₁₆Si₅ metallic glass, Debashis Bandyopadhyay, Materials research bulletin 34 (14) (1999) 2369-2374, IF. 2.873, Cited: 3, Elsevier, Single authorship publication
8	1.549	8	The Ti-Cr-C (titanium-chromium-carbon) system, D. Bandyopadhyay, RC Sharma, N Chakraborti, Journal of phase equilibria 20 (3) (1999) 325-331, IF. 1.315, Cited: 5, Springer
7	1.549	22	The Ti-Mo-C (titanium-molybdenum-carbon) system, D. Bandyopadhyay, B Haldar, RC Sharma, N Chakraborti, Journal of phase equilibria 20 (3) (1999) 332-336, IF. 1.315, Cited: 13, Springer
6	1.549	27	The Ti-W-C (titanium-tungsten-carbon) system, B Haldar, D. Bandyopadhyay, RC Sharma, N Chakraborti, Journal of phase equilibria 20 (3) (1999) 337-343, IF. 1.315, Cited: 14, Springer
5	1.804	3	Mössbauer spectroscopic study of the effect of annealing on the hyperfine field distributions in Fe₇₈B₁₃Si₉ metallic glass, Debashis Bandyopadhyay, Solid state communications 109 (9) (1999) 611-614, IF. 1.458, Cited: 3, Elsevier, Single authorship publication
4	2.333	3	Study of hyperfine-field distributions and the lattice dynamics of Fe₅₀Ni₃₀Cr₂₀ alloy by using ⁵⁷Fe Mössbauer spectroscopy, Debashis Bandyopadhyay, Journal of Physics: Condensed Matter 11 (5) (1999) 1199, IF. 2.617, Cited: 2, Institute of Physics (IOP). Single authorship publication
3		3	Study of crystallization kinetics of Fe₇₈B₁₃Si₉ metallic glass by Mössbauer spectroscopy, A. Samanta, D. Bandyopadhyay, Zeitschrift für Metallkunde 90 (5) (1999) 335-337,* Deutsche Gesellschaft fu¨r Materialkunde, Carl Hanser Verlag*
2		1	Effect of annealing on the hyperfine field distributions in Fe₇₉B₁₆Si₅ and Fe₇₈B₁₃Si₉ metallic glasses, D. Bandyopadhyay, RM Singru, Journal of materials science letters 17 (23) (1998) 2025-2027
1	4.22	22	Mossbauer spectroscopic study of heat-treated and control-cooled Fe₃Al alloys, D. Bandyopadhyay, S Suwas, RM Singru, S Bhargava, Journal of materials science 33 (1) (1998) 109-116, IF. 4.22, Cited: 14, Springer

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