Contributors

Autor: Indrani Baruah, Prasad V. Bharatam, Alexander I. Boldyrev, Ritam Raj Borah, Debdutta Chakraborty, Pratim Kumar Chattaraj, Zhong-Hua Cui, Prasenjit Das, Subhra Das, Gurudutt Dubey, Manas Ghara, Swapan K. Ghosh, Sourav Ghoshal, Santanab Giri, K. Gopalsamy, Saniya Gratious, Ankur K. Guha, Chunna Guo, Xin He, Gourhari Jana, M. Janani, Ruchi Jha, Dandan Jiang, Amlan J. Kalita, Chayanika Kashyap, Katsuaki Konishi, Abhishek Kumar, Hai-Xia Li, Meng Li, Shubin Liu, K.R. Maiyelvaganan, Sukhendu Mandal, Lakhya J. Mazumder, Jose M. Mercero, Neeraj Misra, M. Molayem, Sukanta Mondal, Sayani Mukherjee, Alvaro Muñoz-Castro, Minh Tho Nguyen, Pham Vu Nhat, Edison Osorio, Ranita Pal, Sudip Pan, Debolina Paul, Arpita Poddar, M. Prakash, Anup Pramanik, M.K. Ravva, Shahnaz S. Rohman, Chunying Rong, Debesh R. Roy, Ranajit Saha, Pranab Sarkar, Utpal Sarkar, Kangkan Sarmah, Esha V. Shah, Yukatsu Shichibu, Nguyen Thanh Si, Swapan Sinha, M. Springborg, Ambrish Kumar Srivastava, V. Subramanian, Zhong-Ming Sun, Gargi Tiwari, Nikolay V. Tkachenko, Jesus M. Ugalde, Farnaz Yashmin, Dongbo Zhao, Lili Zhao

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d14d18afe7d064b4002bf4e8eb9e2c0c
https://doi.org/10.1016/b978-0-12-822943-9.09992-7

Green Synthesis of Triangular ZnO Nanoparticles Using Azadirachta indica Leaf Extract and Its Shape Dependency for Significant Antimicrobial Activity: Joint Experimental and Theoretical Investigation

Autor: Vilas P. Chaudhari, Esha V. Shah, Bijal R. Mehta, Sutapa Mondal Roy, Bhumika K. Sharma, Debesh R. Roy

Publikováno v: Journal of Cluster Science. 33:2517-2530

The present study reports the green synthesis of triangular ZnO nanoparticles (G-ZnO NPs) using Azadirachta indica leaves extract, and a shape dependent density functional investigation for ZnO NPs on their antimicrobial activity. The X-ray diffracti

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::71e1ab7d7a4c2fcd320c4ad70b31337e
https://doi.org/10.1007/s10876-021-02145-x

Density functional investigation on hexagonal nanosheets and bulk thallium nitrides for possible thermoelectric applications

Autor: Debesh R. Roy, Esha V. Shah

Publikováno v: Applied Nanoscience. 9:33-42

A density functional theory-supported scrutiny is executed on the structure, and electronic and thermoelectric properties of mono, bi, and trilayers of thallium nitride (TlN) ultra-thin 2D nanomaterial using Vienna ab-initio Simulation Package (VASP)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::571ae4224146ab0d3abc9f9a570e71dd
https://doi.org/10.1007/s13204-018-0884-8

Optical activity of Co-porphyrin in the light of IR and Raman spectroscopy: A critical DFT investigation

Autor: Debesh R. Roy, Sutapa Mondal Roy, Esha V. Shah

Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 190:121-128

A critical investigation on the structure, electronic properties and optical activities of a series of transition metal doped porphyrins (TMP; TM=Fe, Co, Ni) in the light of infrared and Raman spectroscopy is performed, under density functional forma

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef0e545ce7579bf715223a57bfe99b58
https://doi.org/10.1016/j.saa.2017.08.069

Sc 3 N and Sc 2 C 2 encapsulated B 40 : Smarter than its carbon analogue

Autor: Esha V. Shah, Debesh R. Roy

Publikováno v: Physica E: Low-dimensional Systems and Nanostructures. 84:354-360

A detailed comparative investigation on the recently synthesised B 40 and C 40 along with their metal nitride (Sc 3 N)and carbide (Sc 2 C 2 ) encapsulated endohedral fullerenes, is performed under density functional theory for the first time. The str

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cc1eb7fa3a81a6bbda7fcdfcfcc207fd
https://doi.org/10.1016/j.physe.2016.08.002