1. 2D PC3 as a promising thermoelectric material. Issue 16 (8th April 2020) Authors: Rajput, Kaptan; Roy, Debesh R. Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 16(2020) Page Start: 8625 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. 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. (February 2021) Authors: Kumar, Vipin; Rajput, Kaptan; Roy, Debesh R. Journal: Carbon Issue: Volume 172(2021) Page Start: 791 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Experimental and first-principles investigation on the structural, electronic and antimicrobial properties of nickel hydroxide nanoparticles. (January 2022) Authors: Chaudhari, Vilas P.; Rajput, Kaptan; Mondal Roy, Sutapa; Chaudhuri, Tapas K.; Roy, Debesh R. Journal: Journal of physics and chemistry of solids Issue: Volume 160(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. First principle investigation on 2D beryllium chalcogenides for thermoelectric and optical applications. (May 2022) Authors: Kumar, Pankaj; Rajput, Kaptan; Roy, Debesh R. Journal: Journal of physics and chemistry of solids Issue: Volume 164(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Hydrogen-induced tunable electronic and optical properties of a two-dimensional penta-Pt2N4 monolayer. Issue 17 (23rd April 2021) Authors: Kumar, Vipin; Dey, Aditya; Thomas, Siby; Asle Zaeem, Mohsen; Roy, Debesh R. Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 17(2021) Page Start: 10409 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Optical and thermoelectric properties of square lattice phases of alkali halide compounds. (March 2023) Authors: Kumar, Pankaj; Roy, Debesh R. Journal: Journal of physics and chemistry of solids Issue: Volume 174(2023) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Strain-induced band modulation and excellent stability, transport and optical properties of penta-MP2 (M = Ni, Pd, and Pt) monolayers. Issue 10 (14th September 2020) Authors: Kumar, Vipin; Roy, Debesh R. Journal: Nanoscale advances Issue: Volume 2:Issue 10(2020) Page Start: 4566 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Structural, vibrational, electronic, elastic and thermoelectric properties of monolayer alkali halide compounds from first principles investigation. (December 2021) Authors: Kumar, Pankaj; Rajput, Kaptan; Roy, Debesh R. Journal: Materials today communications Issue: Volume 29(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Structure, electronic, optical and thermodynamic behavior on the polymerization of PMMA: A DFT investigation. (February 2018) Authors: Shah, Esha V.; Patel, Chetna M.; Roy, Debesh R. Journal: Computational biology and chemistry Issue: Volume 72(2018) Page Start: 192 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Toxicity of polyhalogenated dibenzo-p-furans in the light of nucleic acid bases interaction. (October 2018) Authors: Sharma, Bhumika K.; Roy, Debesh R. Journal: Computational biology and chemistry Issue: Volume 76(2018) Page Start: 225 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗