Publication Summary
Journals: 126 (SCI: 123 ; Invited & Referred: 03)
Books: 02 (Intl. 02)
e-Book (Edited): 01 (Ind.)
Book Chapters: 10 (Intl. 08, Ind. 02)
Conference papers: 21 (SCI/Scopus: 14, Others: 07)
Total no. of publications: 160 LINK FOR FULL LIST OF PUBLICATIONS
Article Citation Statistics:
Total citations: 6500+
h-index: 36 (GS); i10-index: 79 (GS)
VIDWAN (An MoE, GoI project) score: 9.8 out of 10
Selected SCI papers on MATERIALS OF DIFFERENT DIMENSIONS (DFT, NEGF, BoltzTrap)
Monolayer PC3: A promising material for environmentally toxic nitrogen-containing multi gases
K. Rajput, J. He, T. Frauenheim* and D. R. Roy*
Journal of Hazardous Materials (Elsevier Sci.) 2021 [Link]
ISSN: 0304-3894, SCI I. F.: 14.224 (2021)
Electric field-induced band modulation of predicted ternary 2D MXC3 [M:X = As:Ge, Sb:Sn and Bi:Pb] with strong stability and optical properties
V. Kumar,* K. Rajput and D. R. Roy*
CARBON (Elsevier Sci.) 172 (2021) 791-803. [Link]
ISSN: 0008-6223, SCI I. F.: 11.307 (2021)
Ca2C MXene Monolayer as A Superior Anode for Metal-Ion Batteries
K. Rajput, V. Kumar, T. Siby, M. A. Zaeem* and D. R. Roy*
2D Materials (Inst. Of Phys.) 8 (2021) 035015. [Link]
ISSN: 2053-1583, SCI I. F.: 7.103 (2020)
2D Sb2C3 monolayer: A promising material for recyclable gas sensor for environmentally
toxic nitrogen-containing gases (NCGs)
V. Kumar,* D. Azhikodan and D. R. Roy*
Journal of Hazardous Materials (Elsevier Sci.) 2021 [Link]
ISSN: 0304-3894, SCI I. F.: 14.224 (2021)
Heterobilayer CaS/CaSe: A promising sensor for environmental toxic NO2 gas with high
selectivity and sensitivity
K. Rajput, V. Kumar and D. R. Roy*
Applied Surface Science (Elsevier) 528 (2020) 146996 [Link]
ISSN: 0169-4332, SCI I. F.: 7.392 (2021)
2D PC3 as a promising thermoelectric material
K. Rajput and D. R. Roy*
Phys. Chem. Chem. Phys. (Royal Soc. Chem.) 22 (2020) 8625-8632 [Link]
ISSN: 1463-9084, SCI I. F.: 3.945 (2021)
Selected SCI papers on MOLECULAR ELECTRONICS (DFT & NEGF)
Transverse Electronic Transport Through Nucleobase-Pairs of A DNA Wire
E. V. Shah, U. Kleinekathöfer, T. Frauenheim and D. R. Roy*
Mat. Today Chem. (Elsevier Sci) XX (2022) XXXX [SCI]
ISSN: 2468-5194, SCI I. F.: 8.301 (2020)
Group three nitride clusters as promising components for nanoelectronics
K. Rajput, B. R. Mehta, U. Kleinekathöfer, T. Frauenheim and D. R. Roy*
Mat. Today Chem. (Elsevier Sci) 23 (2022) 100751 [SCI] [Link]
ISSN: 2468-5194, SCI I. F.: 8.301 (2020)
Selected SCI papers on ATOMIC CLUSTERS & MATERIALS (DFT)
2D and Bulk h-MgSe Materials from MgmSen(m,n=1-3) Clusters: Density Functional
Investigation
V. Kumar, M. Shaikh and D. R. Roy*
J. Alloys Comp. (Elsevier Sci), 2016, 687, 130-134.[SCI] [Link]
ISSN: 0925-8388, SCI I. F.: 6.371 (2021)
On the ground state of Pd13
A. M. Köster, P. Calaminici, E. Orgaz, D. R. Roy, J. U. Reveles and S. N. Khanna
J. Am. Chem. Soc. 2011, 133, 12192-12196 [SCI]
ISSN: 1520-5126, SCI I. F.: 16.383 (2021) [Link]
Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters
D. R. Roy, R. Robles and S. N. Khanna
J. Chem. Phys. 2010, 132, 194305(1)-194305(7) [SCI]
ISSN: 1089-7690, SCI I. F.: 3.488 (2020) [Link]
Selected SCI papers on CHEMICAL RACTIVITY (DFT)
Electrophilicity Index
P. K. Chattaraj, U. Sarkar and D. R. Roy
Chem. Rev. 2006, 106, 2065-2091 [SCI]
ISSN: 0009-2665, SCI I. F.: 72.087 (2021)
Top 1% Cited Article (Thomson Sci.)
Update 1 of: Electrophilicity Index (Perennial Review)
P. K. Chattaraj and D. R. Roy
Chem. Rev. 2007, 107, PR46-PR74 [SCI]
ISSN: 0009-2665, SCI I. F.: 72.087 (2021) [Link]
Published as a COVER ARTICLE
A Possible Union of Chemical Bonding, Reactivity and Kinetics
P. K. Chattaraj and D. R. Roy
J. Phys. Chem. A (Letter) 2006, 110, 11401-11403.
ISSN: 1089-5639, I. F.: 6.475 (2020) [Link]
Most-Accessed Articles: Oct-Dec, 2006
Selected SCI papers on EXPERIMENTAL & THEORETICAL JOINT INVESTIGATIONS
Green synthesis of triangular ZnO nanoparticles using Azadirachta indica leaf extract and its shape dependency for significant antimicrobial activity: Joint experimental and theoretical investigation
B.K. Sharma, B.R. Mehta, E.V. Shah, V.P. Chaudhari, D.R. Roy* and S. Mondal Roy*
Journal of Cluster Science (Springer), 2021
ISSN: 1040-7278, SCI I. F.: 3.447 (2021)
Synthesis of Ciprofloxacin Drug Capped Silver Nanoparticles and Their Antimicrobial Activity: A Joint Spectrophotometric and Density Functional Investigation
S. Mondal Roy,* B. K. Sharma and D. R. Roy
Journal of Cluster Science (Springer), 2021
ISSN: 1040-7278, SCI I. F.: 3.447 (2021) [Link]
Experimental and first-principles investigation on the structural, electronic and antimicrobial properties of nickel hydroxide nanoparticles
V.P. Chaudhari, K. Rajput, S. Mondal Roy, T.K. Chaudhuri* and D.R. Roy*
Journal of Physics and Chemistry of Solids (Elsevier Science) 2022, 160, 110367
ISSN: 0022-3697, SCI I. F.: 4.38 (2021) [Link]
Selected SCI papers on QUANTUM TOXICOLOGY (DFT, QSAR: QSPR: QSTR)
Electrophilicity as a Possible Descriptor for Toxicity Prediction
D. R. Roy, R. Parthasarathi, B. Maiti, V. Subramanian and P. K. Chattaraj
Bioorg. Med. Chem. (Elsevier Science) 2005, 13, 3405-3412 [SCI]
ISSN: 0968-0896, SCI I. F.: 3.641 (2020) [Link]
Science Direct TOP-25 Hottest, 2005; Bioorg. Med. Chem. TOP-50 Most Cited, 2003-06
An atom counting Strategy towards Analyzing the Biological Activity of Sex Hormones
D. R. Roy, N. Pal, A. Mitra, P. Bultinck, R. Parthasarathi, V. Subramanian and P. K. Chattaraj
Eur. J. Med. Chem. (Elsevier Science), 2007, 42, 1365-1369.
ISSN: 0223-5234, SCI I. F.: 7.088 (2021) [Link]
Articles may be available on request to: drr@phy.svnit.ac.in