Designation: Professor
Department: Applied Science
Honour: Ph.D.(Barkatullah University, Bhopal) ; PDF (Uppsala University, Sweden)
Experience: Teaching, Research and Consultancy (Applied Science, IT and related) 20+ Years
Area of Interest: Nano Electronics, Energy and Environment, Entrepreneurship, Startups, IT Localization, E-Governance, IT Applications.
Office Phone : +91-751-2449826 (Office)
Residence Phone: +91-751-2449726 (Residence)
Address: Office-110, First Floor, E Block, ABV-IIITM, Morena Link Road, Gwalior-474015 (M.P.)
Email: anurags@iiitm.ac.in, profanurag@gmail.com
Website: https://profanurag.in
I joined IIITM as Assistant Professor in October 2006, became Associate Professor (Direct Selection) in June 2010, and currently working as a Professor, having multidimensional experience in both the research and development activities, particularly in the area of Nano-Material based Devices for Energy and Environment and in IT product development for various services. Earlier to IIITM, I worked as a faculty of the Computer Science & Information Technology (CSIT) department of G. G. University (a central university), Bilaspur, Chhattisgarh. At CSIT, I have established various laboratories and also worked in various academic cum administrative capacities. During my stay at G. G. University, I have completed a mega project (Rs. 100 Lakh) of Ministry of Communication and Information Technology, Govt. of India, on Content creation and IT Localization Network as Chief Investigator of the project. In 2010, MeiTy has again awarded a project of Rs. 155 Lakh for Entrepreneurship and Startups promotion. And in 2019, MeiTy has awarded a project for Entrepreneurship and Startups promotion in IT and Electronics (TIDE-2.0) with a financial support of 1.7 Cr. So far, I have nurtured 22+ startups under Technology Innovation and Incubation Centre, Gwalior. I have postdoctoral experience in India and Abroad (Sweden, Italy, Japan, USA, UK, Singapore, Hungary) in various capacities with the research groups of renowned scientists, like Prof. Borje Johansson, Prof. Rajeev Ahuja, Prof. Ravindra Pandey, Prof. Yoshihiro Hayakawa etc. . This experience in different domains of Materials Science has produced a number of International and National Publications include the regular referred papers in journals, conference, and seminars. I have written a few e-books in Hindi (Unicode) on different subjects of Information Technology and guided a number of software development projects. All these efforts have resulted in various recognitions and awards, like the E-excellence award in e-governance by M.P. Govt., the TGMC award as Best in-state category by IBM, and Finalist NASSCOM ICT Honors by NASSCOM Foundation, GOI, M.P. Young scientist award etc. I have good networking with scientists in India and abroad in the area of Nanotechnology and IT, and membership in elite Scientific Communities and Societies.
Courses Designed and Taught
I have developed various courses for Masters/Engineering degree courses in Physics, Electronics, and IT in the last few years of teaching. In recent years, I have been associated with the teaching of the following courses for the Integrated Post Graduate and MBA Students of ABV-IIITM, Gwalior.
Assignments/Visits Aboard:
Research Projects: (Ongoing/Completed)
Stand Alone:
Web Enabled:
Conference Proceedings and Lecture notes edited: 5
Master’s Thesis/Dissertations Supervised: 60+
(M.Tech (VLSI, DC, Nanotechnology, Materials Science), B.Tech (IT, Electronics, Bio), MCA, M.Sc. (Physics), M.Phil students of different institutions)
PhD Thesis Supervision: 8 Awarded/Submitted and 5 Ongoing
Research Publications:
Research Statistics (as of 03 February, 2023)
Total Publications: 250+ (since 1996)| Google Scholar Citations: 2272, h-index: 25, i-10 index: 63| Research Gate Research Interest Score: 1753
Patents:
Book Chapters:
List of Publications in Last Five Years: (Updated on 03 February, 2023)
2023
Gaurav Tatrari, Chetna Tewari, Mayank Pathak, Manoj Karakoti, Bhashkar Singh Bohra, Sandeep Pandey, BoddepalliSanthiBhushan, Anurag Srivastava, Sravendra Rana, and Nanda Gopal Sahoo, “Bulk production of zinc doped reduced graphene oxide from tire waste for supercapacitor application: Computation and experimental analysis,” Journal of Energy Storage, Vol. 53, pp. 105098. 2022, DOI: https://doi.org/10.1016/j.est.2022.105098
Lovleen Kaur, Sangeeta Saini and Anurag Srivastava, “Predicting selective sensing capability of armchair graphene nanoribbon towards hydrogen halide gases: A density of states analysis,” Journal of Computational Biophysics and Chemistry, Vol. 21, No. 07, pp. 845-856, 2022, DOI:https://doi.org/10.1142/S2737416522500375
Mehla, K. Gaurav, A. Srivastava, and S. Singh, “Suitability of Chlorobenzene Based Single Electron Transistor as HCN, AsH3, and CoCl2 Sensor,” Journal of Molecular Modeling, vol. 28, pp. 206, 2022, DOI: https://doi.org/10.1007/s00894-022-05195-8
HM Ansar, W Wang, L Lei, K Ba , X Chang, A Raza , Y Chen, A Mehboob, Q Zhong, A Srivastava, O Kaimieva, and H Fan,“ Gas bubbling exfoliation strategy towards 3D g-C3N4 hierarchical architecture for superior photocatalytic H2 evolution,” Journal of Alloys and Compounds, Vol. 919, pp. 165794, 2022, DOI:https://doi.org/10.1016/j.jallcom.2022.165794
K. Gaurav, B. SanthiBhushan, G. Gutierrez, R. Ahuja, and A. Srivastava, “Trans-polyacetylene Based Organic Spin Valve for a Multifunctional Spin-Based Device: A First-Principle Analysis,” Journal of Science: Advanced Materials and Devices, vol. 7, pp. 100459, 2022, DOI: https://doi.org/10.1016/j.jsamd.2022.100459
Sonal Agrawal, Anurag Srivastava, and Gaurav Kaushal, “Electron Transport in N-functionalised Armchair Graphene Nanoribbons: Computational Insight,” IOP Conference Series: Materials Science and Engineering, Vol. 1221, No. 1, p. 012053, 2022, DOI: doi:10.1088/1757-899X/1221/1/012053
Sai Shirov Katta, Shailendra Yadav, Abhay Pratap Singh, BoddepalliSanthiBhushan, and Anurag Srivastava, “Investigation of Pristine and B/N/Pt/Au/Pd Doped Single-Walled Carbon Nanotube as Phosgene Gas Sensor: A First-Principles Analysis,“ Applied Surface Science, Vol. 588, p.152989, 2022, DOI: https://doi.org/10.1016/j.apsusc.2022.152989
2021Sonal Agrawal, Anurag Srivastava, Gaurav Kaushal, and Ashok Srivastava, “Edge engineered Graphene Nanoribbons as Nanoscale Interconnect: DFT Analysis,” IEEE Transactions on Nanotechnology, Vol. 21, pp. 43-51, 2021, DOI: https://doi.org/10.1109/TNANO.2021.3140041
Anu, Anurag Srivastava, and Mohd Shahid Khan, “Principle component analysis for nonlinear optical properties of thiophene-based metal complexes,” Journal of Molecular Modeling, Vol. 27, 340, 2021, DOI: https://doi.org/10.1007/s00894-021-04967-y
Sonal Agrawal, Anurag Srivastava, and Gaurav Kaushal, “Understanding electron transport in halogenated graphene nanoribbons and possible application as interconnects,” Semiconductor Science and Technology, Vol. 37, No. 2, 2021, DOI: https://doi.org/10.1088/1361-6641/ac30d4
Sonal Agrawal, Anurag Srivastava, Gaurav Kaushal, “Modeling of interface trap charges induced degradation in underlap DG and GAA MOSFETs Microelectronics Reliability”, Vol. 125, 114344, 2021, DOI: https://doi.org/10.1016/j.microrel.2021.114344
Kirtesh Pratap Khare, Rachana Kathal, Neelima Shukla, Reena Srivastava, and Anurag Srivastava, “Sensing behavior of poly-9 vinyl carbazole for 6-Thioguanine anti-cancer drug: A DFT study,” AIP Conference Proceedings, Vol. 2369, 020124, 2021
Kumar Gaurav and Anurag Srivastava, “Electron Transport in Trans-polyacetylene with Heterogeneous Electrodes: A DFT Study,” 21st IEEE International Conference on Nanotechnology (NANO-2021), Vol. 21, PP.185-188, 2021 DOI: https://doi.org/10.1109/NANO51122.2021.9514309
Sonal Agrawal, Gaurav Kaushal, and Anurag Srivastava, “Enhanced metallicity in defected Zigzag graphene nanoribbons: Role of oxygen doping,” MRS Advances, Vol.6, PP.723–728, 2021, DOI: https://doi.org/10.1557/s43580-021-00121-1
Kirtesh Pratap Khare, Rachana Kathal, Neelima Shukla, Reena Srivastava and Anurag Srivastava, “6 thioguanine sensing using poly pyrrole: DFT study” AIP Conference Proceedings, Vol. 2352, 020072, 2021, DOI: https://doi.org/10.1063/5.0052388
Md. Shahzad Khan, Qing Guo, William Slough, Anurag Srivastava, and Ravindra Pandey, “Enhanced Quantum Capacitance in 3d-Transition Metal Porphyrin Functionalized Graphene,” Materials Science & Engineering B, Vol. 272, 115384, 2021, DOI: https://doi.org/10.1016/j.mseb.2021.115384
Sonal Agrawal, Anurag Srivastava and Gaurav Kaushal, “Understanding Electron Transport in oxygen decorated Zigzag Graphene nanoribbons for nanoscale interconnects”, IEEE 21st International Conference on Nanotechnology (NANO), Vol. 21, PP. 21-24, 2021, DOI: https://doi.org/10.1109/NANO51122.2021.9514303
Ravi Mehla, Kumar Gaurav, and Anurag Srivastava, “Ammonia Gas Sensing via Chlorobenzene QD Based Single Electron Transistor: A DFT Study,” Materials Today: Proceedings, Vol.48, PP.676-678, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.07.317
Monika Srivastava and Anurag Srivastava, “First principle investigation of boron functionalized graphene to detect the presence of “arsenic” in water,” Materials Today: Proceedings, Vol.48, PP.661-665, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.07.147
Kirtesh Pratap Khare , Rachana Kathal, Neelima Shukla , Reena Srivastava , and Anurag Srivastava, “Copolymerization of aniline and 9 vinyl carbazole: A DFT study,” Materials Today: Proceedings, Vol.48, PP.602-604, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.05.546
Sonal Agrawal, Anurag Srivastava and Gaurav Kaushal, “Bandgap engineering in Ga and P doped armchair graphene nanoribbons: DFT analysis,” Materials Today: Proceedings, Vol.48, PP.647-649, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.05.706
Reena Srivastava, Sadhna Shrivastava and Anurag Srivastava, “Graphene nanoribbon as HBr sensor: An ab-initio analysis”, Materials Today: Proceedings, Vol.48, PP.626-628, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.05.660
Chetna Tewari, BoddepalliSanthiBhushan , Anurag Srivastava, and Nanda Gopal Sahoo, “Metal doped graphene oxide derived from Quercus ilex fruits for selective and visual detection of iron(III) in water: Experiment and theory,” Sustainable Chemistry and Pharmacy, Vol. 21, 100436, 2021, DOI: https://doi.org/10.1016/j.scp.2021.100436
Kumar, Anurag Srivastava, Kaman Singh, Ashok Kumar , and Rayees A. Bhat, “Experimental and Quantum chemical analyses of S-benzyl-b-N-(1-(4 fluorophenyl)ethylidene)dithiocarbazate as biologically active agent,” Materials Today: Proceedings, 2021, https://inis.iaea.org/search/search.aspx?orig_q=RN:52097300
Kirtesh Pratap Khare, Rachana Kathal, Neelima Shukla, Reena Srivastava , and Anurag Srivastava, “Orientation dependent DFT analysis of aniline and pyrrole based copolymer,” Materials Today: Proceedings, Vol.47, PP.6934-6937, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.05.193
Sandeep Semwal, Sonal Agrawal, Anurag Srivastava and Gaurav Kaushal, “Analytical model for quasi‑ballistic transport in MOSFET including carrier backscattering,” Journal of Computational Electronics, Vol. 20, pages 838–847, 2021, DOI:https://doi.org/10.1007/s10825-021-01667-x
Monika Srivastava and Anurag Srivastava, “DFT Analysis of Nitrogen and Boron Doped Graphene Sheet as Lead Detector,” Materials Science & Engineering B, Vol. 269, 115165, 2021, DOI: https://doi.org/10.1016/j.mseb.2021.115165
Monika Srivastava and Anurag Srivastava, “Cu decorated functionalized Graphene for Arsenic sensing in Water: A First Principles Analysis,” Applied Surface Science, Vol.560, 149700, 2021, DOI:https://doi.org/10.1016/j.apsusc.2021.149700
IshaCharak, M. Manhasa, A.K. Bedyala, Sukhbir Singh, Anurag Srivastava, H.C. Swart, and Vinay Kumar, “Structural and spectral studies of highly pure red-emitting Ca3B2O6:Eu3+ phosphors for white light emitting diodes,” Journal of Alloys and Compounds, Vol. 869, 159363, 2021, DOI: https://doi.org/10.1016/j.jallcom.2021.159363
Kumar Gaurav, BoddepalliSanthibhushan, Ravi Mehla, and Anurag Srivastava, “Investigating Fluorobenzene based Single Electron Transistor as Toxic Gas Sensor” Journal of electronic materials, Vol. 50, PP.1022-1031, 2021, DOI: https://doi.org/10.1007/s11664-020-08663-0
Sandeep Pandey, Manoj Karakoti , Karan Surana, Pawan Singh Dhapola, BoddepalliSanthiBhushan , Swaroop Ganguly , Pramod K. Singh , Ali Abbas, Anurag Srivastava & Nanda Gopal Sahoo, “Graphene Nanosheets Derived from Plastic Waste for the Application of DSSCs and Supercapacitors,” Scientific reports, 3916, 2021, DOI:https://doi.org/10.1038/s41598-021-83483-8
Ankit Sirohi, BoddepalliSanthiBhushan and Anurag Srivastava, “Charge Transport in Polythiophene Molecular Device: DFT Analysis,” Journal of Molecular Modeling, Vol. 77, 2021, DOI: https://doi.org/10.1007/s00894-021-04680-w
Sonal Agrawal , Anurag Srivastava, and Gaurav Kaushal, “Electron Transport in Boron Functionalised Armchair Graphene Nanoribbons: Potential interconnects,” Solid State Communications, Vol. 327, 114209, 2021, DOI: https://doi.org/10.1016/j.ssc.2021.114209
Lovleen Kaur , Suman Mahendia , Sangeeta Saini , and Anurag Srivastava, “Arsenic Sensing using Al/Fe doped Armchair Graphene Nanoribbons: Theoretical Investigations,” Journal of Physics and Chemistry of Solids, Vol. 152, 109975, 2021, DOI: https://doi.org/10.1016/j.jpcs.2021.109975
Kumar Gaurav, Boddepall iSanthiBhushan , German Mino-Galaz , Gonzalo Gutierrez ,and Anurag Srivastava, “Hybridization and Torsion Defects influenced Electron Transport in Trans-Polyacetylene,” Physica E: Low-dimensional Systems and Nanostructures, Vol. 129, p.114628, 2021, DOI: https://doi.org/10.1016/j.physe.2021.114628
Rayees Ahmad Bhata, D. Kumar, Aftab alam, Anurag Srivastava, Md.Shahzad Khan, “Synthesis, Spectral and Quantum-Chemical Studies on S-benzyl-β-N-(1-(4-fluorophenyl) ethylidene) dithiocarbazate,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6398-6412, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.174
Puspa Raj Adhikari, Om prakashupadhyay, Gopi Chandra Kaphle, Piyush Dua and Anurag Srivastava, “Diameter Dependent Structural and Electronic Properties of TiC Nanotubes,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6536-6544, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.194
Nagarajan, Anurag Srivastava, and R.Chandiramoulia, “Adsorption of nitrogen dioxide on rutile titanium dioxide nanostructures: DFT investigation,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6429-6440, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.178
Sushmita Dandeliya and Anurag Srivastava, “Defected graphene-based alcohol molecule sensor,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6475-6480, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.185
Chandiramouli, Anurag Srivastava, and S. Sriram and V.Nagarajana, “Structural and electronic properties of InGaAs, InGaP and InGaSb nanostructures – A density functional theory approach,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6489-6498, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.187
Anurag Srivastava and R. Chandiramouli, “Electronic and band structure studies on In and N doped β-Ga2O3 nanostructures from first-principles calculations,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6418-6428, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.177
Anu, Archana Sharma, Md. Shahzad Khan, Anurag Srivastava, MushahidHusaina, and Mohd. Shahid Khan, “Single Electron Transistor Based on Chromium Complex of Thiophene: First Principle Study,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6338-6342, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.163
Om Prakash Upadhyay, Puspa Raj Adhikari, Tarani Prasad Yadav, Gopi Chandra Kaphle, and Anurag Srivastava, “Half-Metallic and Magnetic Properties for Cu2O Nanowire: Ab-initio Study,” Materials Today: Proceedings, Volume 47, Part 18, 2021, Pages 6526-6535, 2021, DOI: https://doi.org/10.1016/j.matpr.2021.08.193
2020Bansal, Suneev Anil, Sukhbir Singh, Anurag Srivastava, Amrinder Pal Singh, and Suresh Kumar, “Covalent attachment of 2D graphene oxide (GO) sheets with poly allylamine (PAA) for enhanced mechanical performance: Theoretical and experimental study, “Polymer, Vol. 213,pp. 123195, 2020, DOI: https://doi.org/10.1016/j.polymer.2020.123195
Sonal Agrawal, Gaurav Kaushal, and Anurag Srivastava, “Electron transport in C3N monolayer: DFT analysis of volatile organic compound sensing,” Chemical Physics Letters, Vol. 762,pp. 138121, 2020, DOI: https://doi.org/10.1016/j.cplett.2020.138121
P. Yadav, G. C. Kaphle, and A. Srivastava, “Computational Study of the Structural, Electronic and Magnetic Properties of Nanoclusters of Cu2O and CuO: Ab-Initio Approach,” Journal of Nepal Physical Society, Vol. 6, pp. 68-72, 2020, DOI: https://doi.org/10.3126/jnphyssoc.v6i1.30523
Monika Srivastava, and Anurag Srivastava, “Electron transport in nitrogen functionalized graphene: A case of arsenic detection,” Materials Today: Proceedings, Vol.44, PP.5044-5047, 2020, DOI:https://doi.org/10.1016/j.matpr.2020.05.006
P. Yadav, A. Srivastava, and G. C. Kaphle, “DFT Analysis of Ferromagnetism in Zigzag and Armchair CuO Nanosheets,” Physics of the Solid State, Vol. 62, pp. 1361–1369, 2020, DOI: https://doi.org/10.1134/S1063783420080314
Monika Srivastava, and Anurag Srivastava, “Morphology dependent structural stability and electronic properties of ZnO nanowire,” AIP Conference Proceedings, vol. 2220, pp. 020006, 2020, DOI: https://doi.org/10.1063/5.0001830
Anu, Anurag Srivastava, and Mohd Shahid Khan, “DFT Analysis of Vanadium Tris (Dithiolene)-Based Double-Gated Single-Electron Transistor,” Journal of Electronic Materials, Vol. 49, Issue. 7, pp. 4203-4211, 2020, DOI: https://doi.org/10.1007/s11664-020-08132-8
Monika Srivastava, Anurag Srivastava, and S. K. Pandey, “Suitability of graphene monolayer as sensor for carcinogenic heavy metals in water: A DFT investigation,” Applied Surface Science, Vol. 517, pp. 146021, 2020, DOI: https://doi.org/10.1016/j.apsusc.2020.146021
Harshika Suman, Reena Srivastava, Sadhana Shrivastava, Anurag Srivastava, A. P. Jacob, and C. S. Malvi, “DFT analysis of H2S adsorbed zigzag and armchair graphene nanoribbons,” Chemical Physics Letters, Vol. 745, pp. 137280, 2020, DOI: https://doi.org/10.1016/j.cplett.2020.137280
Anu, Anurag Srivastava, and Mohd Shahid Khan, “Density functional theory calculations for electronic, optoelectronic and thermodynamic properties of dibenzothiophene metal complexes,” Materials Research Express, Vol. 7, no. 1, 2020, DOI: https://doi.org/10.1088/2053-1591/ab6922
2019Md. Shahzad Khan and Anurag Srivastava, “Diameter Dependent Electronic, Optical and Transport Properties of CdSe Nanowire: Ab-Initio Study,” Semiconductors, Vol. 53, Issue 13, pp. 1759–1768, 2019, DOI: https://doi.org/10.1134/S1063782619130104
Saravanan, V. Nagarajan, Anurag Srivastava, and R. Chandiramouli, “Blue phosphorene nanoribbon for detection of chloroform vapours – a first-principles study,” International Journal of Environmental Analytical Chemistry, Vol. 17, pp. 1-3, 2019, DOI: https://doi.org/10.1080/03067319.2019.1686492
Kumar Gaurav, BoddepalliSanthiBhushan, S. J. Ray and Anurag Srivastava, “Acridinium Based Organic Molecular Single Electron Transistor for High Performance Switching Applications,” IEEE Transactions on nanotechnology, vol. 18, pp. 1148-1155, 2019, DOI: https://doi.org/10.1109/TNANO.2019.2945995
Sunil Dhali, Manoj Karakoti, Sandeep Pandey, BoddepalliSanthiBhushan, Ravindra Kumar Verma, Anurag Srivastava, Rajaram Bal, S.P.S. Mehta and Nanda Gopal Sahoo, “Graphene oxide supported Pd-Fe nanohybrid as an efficient electrocatalyst for proton exchange membrane fuel cells,” International Journal of Hydrogen Energy, Vol. 45, pp. 18704-18715, 2019, DOI: https://doi.org/10.1016/j.ijhydene.2019.09.131
Rayees A. Bhat, D. Kumar, Kaman Singh, Anurag Srivastava, M. d Shahzad Khan, Manzoor A. Malla, Javeed A. Ganie, and Muzzaffar A. Mir, “Synthesis and spectral characterization of Zn (II) complex of S-benzyl-β-N-[3-(4-hydroxy-3-methoxy-phenylallylidene)] dithiocarbazate: An approach to antibacterial, thermal studies and DFT calculations,” Journal of Molecular Structure, Vol. 1199, pp. 126877, 2019, DOI: https://ui.adsabs.harvard.edu/link_gateway/2020JMoSt119926877B/doi:10.1016/j.molstruc.2019.126877
Archana Sharma, Md Shahzad Khan, Anurag Srivastava, Mohd Shahid Khan, and Mushahid Husain, “Si-doped MoS2 sheet as phosgene gas sensor: A first principles study,” AIP Conference Proceedings, vol. 2115, pp. 030438, 2019, DOI:https://doi.org/10.1063/1.5113277
Chetna Tewari, Gaurav Tatrari, Manoj Karakoti, Sandeep Pandey, Mintu Pal, Sravendra Rana, BoddepalliSanthiBhushan, Anand Ballabh Melkani, Anurag Srivastava, and Nanda Gopal Sahoo, “A simple, eco-friendly and green approach to synthesis of blue photoluminescent potassium-doped graphene oxide from agriculture waste for bio-imaging applications,” Materials Science and Engineering: C, Vol. 104, pp. 109970, 2019, DOI: https://doi.org/10.1016/j.msec.2019.109970
Reena Srivastava, Harshika Suman, Sadhana Shrivastava, and Anurag Srivastava, “DFT analysis of pristine and functionalized zigzag CNT: A case of H2S sensing,” Chemical Physics Letters, Vol. 731, pp. 136575, 2019, DOI: https://doi.org/10.1016/j.cplett.2019.07.003
Monika Srivastava, Anurag Srivastava, “Electron transport in CO2 adsorbed ZnO nanowire: DFT study,” Chemical Physics Letters, Vol. 729, pp. 17-23, 2019, DOI: https://doi.org/10.1016/j.cplett.2019.05.014
RV Siva Prasanna Sanka, K. Balaji, Yves Leterrier, Shyam Pandey, Monika Srivastava, Anurag Srivastava, Wolfgang H. Binder, Sravendra Rana, and Véronique Michaud, “Nitrogen-doped graphene stabilized copper nanoparticles for Huisgen [3+2] cycloaddition “click” chemistry,” Chemical Communication, Vol. 55, pp. 6249-6252, 2019, DOI: https://doi.org/10.1039/C9CC02057H
Sandeep Pandey, Manoj Karakoti, Sunil Dhali, Neha Karki, BoddepalliSanthiBhushan, Chetna Tewari, Sravendra Rana, Anurag Srivastava, Anand B. Melkani, and Nanda Gopal Sahoo, “Bulk synthesis of graphene nanosheets from plastic waste: An invincible method of solid waste management for better tomorrow,” Waste Management Vol. 88, pp. 48-55, 2019, DOI: https://doi.org/10.1016/j.wasman.2019.03.023
2018Barsha Jain, K. Vinod Kumar, B. SanthiBhushan, Kumar Gaurav, Manisha Pattanaik, and Anurag Srivastava, “A tetracene-based single-electron transistor as a chlorine sensor,” Journal of Computational Electronics, Vol. 17, pp. 1515–1520, 2018, DOI: https://doi.org/10.1007/s10825-018-1214-9
Achyut J. Raghavendra, Jingyi Zhu, Wren Gregory, Fengjiao Case, Pradyumna Mulpur, Shahzad Khan, Anurag Srivastava, and Ramakrishna Podila, “Chemiplasmonics for high-throughput biosensors,” International Journal of Nanomedicine, vol. 13, pp. 8051-8062, 2018, DOI: https://doi.org/10.2147/ijn.s186644
Sushmita Dandeliya, and Anurag Srivastava, “Defected Graphene as Ammonia Sensor: Theoretical Insight,” IEEE Sensors Journal, Vol. 19, pp. 2031 – 2038, 2018, DOI: https://doi.org/10.1109/JSEN.2018.2884971
Sandeep Pandey, SRV Siva Prasanna, Manoj Karakoti, Chetna Tewari, BoddepalliSanthiBhushan, Jitendra K. Pandey, Anurag Srivastava, Sravendra Rana, and Nanda Gopal Sahoo, “Dispersion and stability study of carbon nanotubes in pH and temperature responsive polymeric matrix: Experiment and dispersion corrected DFT study,” Materials Today-Communications, Vol. 17, pp. 187-193, 2018, DOI: https://doi.org/10.1016/j.mtcomm.2018.09.005
Rayees A. Bhat, D. Kumar, Anurag Srivastava, Bilal A. Mir, Manzoor A. Malla, Muzzaffar A. Bhat, and Muzzaffar A. Mir, “Experimental, DFT Studies and Biological Evaluation of S‐methyl‐β‐N‐(3‐(2‐nitrophenyl) allylidene) dithiocarbazate,” Chemistry Select, 3 (25), pp.7363-7369, 2018, DOI: https://doi.org/10.1002/slct.201801698
Paudel, T. P. Yadav, A. Srivastava, and G. C. Kaphle, “Magnetic Moment of Zigzag CuO Nanotubes at Different Temperature and Size: Ab-Initio Study,” Journal of Materials Science and Nanotechnology, Vol. 6, 2018, DOI: http://dx.doi.org/10.15744/2348-9812.6.102
Manjeet Bhatia, Uma Shankar Sharma, and Anurag Srivastava, “Chromium Influenced High Magnetic Moment and Half-Metallic Nature of GaN Nanotube,” Journal of nanoscience and nanotechnology, Vol. 19, pp. 4214-4219, 2018, DOI: https://doi.org/10.1166/jnn.2019.16286
BoddepalliSanthiBhushan, Mohammad Shahzad Khan, Vijay Kumar Bohat, and Anurag Srivastava, “Quantum Capacitance Estimations of Pyrrolic-Rich Graphene for Supercapacitor Electrodes,” IEEE Transactions on Nanotechnology, 17(2), pp.205-211, 2018, DOI: https://doi.org/10.1109/TNANO.2017.2786715
Rayees A. Bhat, D. Kumar, Aftab Alam, Bilal A. Mir, Anurag Srivastava, Manzoor A. Malla, and Muzzaffar A. Mir, “Synthesis, characterization, Thermal and DFT studies of S-methyl-β-N-(3-(2-nitrophenyl) allylidene) dithiocarbazate as anti-bacterial agent,” Journal of Molecular Structure, 1173, pp. 72-80, 2018, DOI: https://doi.org/10.1016/j.molstruc.2018.06.061
Anu, Anurag Srivastava, and Mohd Shahid Khan, “Charge stability diagram and addition energy spectrum for single-electron transistor based on Ni-dithiolene derivatives,” Organic Electronics, 59, pp.125-130, 2018, DOI: https://doi.org/10.1016/j.orgel.2018.05.003
Archana Sharma, Mushahid Husain, Anurag Srivastava, and Mohd Shahid Khan, “Anti-site defected MoS2 sheet-based single electron transistor as a gas sensor,” AIP Conference Proceedings, Vol. 1953, 2018, DOI: https://doi.org/10.1063/1.5033250
Md Shahzad Khan, Manjeet Bhatia, and Anurag Srivastava, “Structural and electronic properties of rectangular CdTe nanowire: A DST study,” AIP Conference Proceedings, Vol. 1953, 2018, DOI: https://doi.org/10.1063/1.5033311
Sushmita Dandeliya, and Anurag Srivastava, “Electron transport in ethanol & methanol absorbed defected graphene,” AIP Conference Proceedings, Vol. 1953, 2018, DOI: https://doi.org/10.1063/1.5033315
BoddepalliSanthiBhushan, and Anurag Srivastava, “Integrated and differential quantum capacitance of graphene: A DFT study,” AIP Conference Proceedings, Vol. 1953, 2018, DOI: https://doi.org/10.1063/1.5033300
Reena Srivastava, Sadhana Shrivastava, and Anurag Srivastava, “Metallic → Semiconducting transitions in HX (X=F, Br, Cl) adsorbed (5,5) and (7,7) carbon nanotubes: DFT study,” AIP Conference Proceedings, Vol. 1953, 2018, DOI: https://doi.org/10.1063/1.5032590
Manjeet Bhatia, Md Shahzad Khan, and Anurag Srivastava, “Pressure induced phase transition in CdTe nanowire: A DFT study,” AIP Conference Proceedings, Vol. 1953, 2018, DOI: https://doi.org/10.1063/1.5032653
Anurag Srivastava, Md Shahzad Khan, and Rajeev Ahuja, “Electron transport in NH3/NO2 sensed buckled antimonene,” Solid State Communications, 272, pp.1-7, 2018, DOI: https://doi.org/10.1016/j.ssc.2018.01.006
Archana Sharma, Anurag Srivastava, Mushahid Husain, and Mohd Shahid Khan, “Computational investigations of Cu-embedded MoS 2 sheet for CO oxidation catalysis,” Journal of Materials Science, 53(13), pp.9578-9588, 2018, DOI: https://doi.org/10.1007/s10853-018-2269-5
Sushmita Dandeliya, Md Khan, and Anurag Srivastava, “Electron Transport in Ammonia Adsorbed Functionalized Carbon Nanotube,” Journal of Nanoelectronics and Optoelectronics, 13(3), pp.306-313, 2018, DOI: https://doi.org/10.1166/jno.2018.2253
Anurag Srivastava, and BoddepalliSanthiBhushan, “Trade-off between quantum capacitance and thermodynamic stability of defected graphene: an implication for supercapacitor electrodes,” Applied Nanoscience, 8 (4), pp. 637–644, 2018, DOI: https://doi.org/10.1007/s13204-018-0643-x
Archana Sharma, Mohd Shahid Khan, Mushahid Husain, Md Shahzad Khan, and Anurag Srivastava, “Sensing of CO and NO on Cu-Doped MoS 2 Monolayer-Based Single Electron Transistor: A First Principles Study,” IEEE Sensors Journal, 18(7), pp.2853-2860, 2018, DOI: https://doi.org/10.1109/JSEN.2018.2801865
Anurag Srivastava, Priya Gupta, Md Shahzad Khan, Mohammed BenaliKanoun, and SourayaGoumri-Said, “Electronic and optical properties of functionalized zigzag ZnO nanotubes,” Journal of molecular modeling, 24(2), p.48, 2018, DOI: https://doi.org/10.1007/s00894-017-3556-9
Anu, Anurag Srivastava, and Mohd Shahid Khan, “First principal study of single electron transistor based on metal-organic complex of dibenzothiophene,” Organic Electronics, 53, pp.227-234, 2018, DOI: https://doi.org/10.1016/j.orgel.2017.11.042
Rayees A. Bhat, D. Kumar, Manzoor A. Malla, Sami U. Bhat, Md Shahzad Khan, Ovais Manzoor, Anurag Srivastava, Rawoof A. Naikoo, Mohd Mohsin, and Muzzaffar A. Mir, “Synthesis, characterization, computational studies and biological evaluation of S-benzyl-β-N-[3-(4-hydroxy-3-methoxy-phenylallylidene)] dithiocarbazate,” Journal of Molecular Structure, 1156, pp.280-289, 2018, DOI: https://ui.adsabs.harvard.edu/link_gateway/2018JMoSt1156..280B/doi:10.1016/j.molstruc.2017.11.051
2017Anu, Archana Sharma, Md Shahzad Khan, Anurag Srivastava, Mushahid Husain, and Mohd Shahid Khan, “High-Performance Single-Electron Transistor Based on Metal–Organic Complex of Thiophene: First Principal Study, “IEEE Transactions on Electron Devices 64(11), pp.4628-4635, 2017, DOI:http://dx.doi.org/10.1109/TED.2017.2756106
Md Shahzad Khan, Rahul Ratn, and Anurag Srivastava, “Electronic and structural investigation of buckled antimonene using density functional theory calculation,” Pramana, 89(1), pp.9, 2017, DOI: https://doi.org/10.1007/s12043-017-1403-2
Santhibhushan, Mahesh Soni, and Anurag Srivastava, “Optical properties of boron-group (V) hexagonal nanowires: DFT investigation,” Pramana, 89(1), p.14, 2017, DOI: https://doi.org/10.1007/s12043-017-1406-z
Manjeet Bhatia, and Anurag Srivastava, “Bandgap and magnetic moment of Ga1-xCrxN,” AIP Conference Proceedings, vol. 1832, no. 1, p. 090045, 2017, DOI: https://doi.org/10.1063/1.4980598
Md. Mushtaque, Fernando Avecilla, Md Shahzad Khan, Zubair Bin Hafeez, M. Moshahid A. Rezvi, and Anurag Srivastava, “Synthesis, characterization, cytotoxicity, cell cycle analysis of 3-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl) thiourea and quantum chemical analyses,” Journal of Molecular Structure, 1141, pp.119-132, 2017, DOI: https://doi.org/10.1016/j.molstruc.2017.03.066
Md. Mushtaque, Fernando Avecilla, Zubair Bin Hafeez, Meriyam Jahan, Md Shahzad Khan, M. Moshahid A. Rizvi, Mohd Shahid Khan, Anurag Srivastava, Anwesha Mallik, and Saurabh Verma, “Synthesis, stereochemistry determination, pharmacological studies and quantum chemical analyses of bisthiazolidinone derivative,” Journal of Molecular Structure, 1127, pp.99-113, 2017, DOI: https://doi.org/10.1016/j.molstruc.2016.07.089
Boddepalli SanthiBhushan, Anurag Srivastava, Jyoti Bhadouria, Rinkoo Bhatia, and Pankaj Mishra, “Aromaticity Influence on Electron Transport of Molecular Single ElectronTransistor: DFT Investigation,” 2016 IEEE International Symposium on Nanoelectronic and Information Systems (iNIS), pp. 113-117, 2017, DOI: https://doi.org/10.1109/iNIS.2016.036
Sushmita Dandeliya, Md Shahzad Khan, and Anurag Srivastava, “Ni-CNT as Isopropanol Sensor: Ab-Initio Analysis,” 2016 IEEE International Symposium on Nanoelectronic and Information Systems (iNIS),” pp. 29-33, 2017, DOI: https://doi.org/10.1109/iNIS.2016.018
Reena Srivastava, Md Shahzad Khan, Sadhna Shrivastava, and Anurag Srivastava, “Electron transport in HBr adsorbed boron doped carbon nanotube,” Chemical Physics Letters, 667, pp.199-205, 2017, DOI: https://doi.org/10.1016/j.cplett.2016.11.057
Md Shahzad Khan, and Anurag Srivastava, “Geometry dependent structural and electronic properties of CdS nanowires: An ab-inito study,” Superlattices and Microstructures, 101, pp.306-314, 2017, DOI: https://doi.org/10.1016/j.spmi.2016.09.045
Chandiramouli, Anurag Srivastava, and V. Nagarajan, “First-principles insights of CO adsorption characteristics on Ge and In substituted silicene nanosheet,” Silicon, 9(3), pp.327-337, 2017, DOI: https://doi.org/10.1007/s12633-016-9495-8
Awards/Honors/Professional Recognition (2021-2017)
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