Journals / Conferences

2015-2018

1. Experimental, DFT Studies and Biological Evaluation of S-methyl-b-N-(3-(2-nitrophenyl) allylidene) dithiocarbazate
   Rayees A. Bhat, D. Kumar Anurag Srivastava, Bilal A. Mir, Manzoor A. Malla, Muzzaffar A. Bhat, and Muzzaffar A. Mir
   Chemistry Select (2018), 3, 7363 - 7369
2. Synthesis, characterization, thermal and DFT studies of S-methyl-b-N- (3-(2-nitrophenyl) allylidene) dithiocarbazate as anti-bacterial agent
   Rayees A. Bhat , D. Kumar, Aftab Alam , Bilal A. Mir, Anurag Srivastava, Manzoor A. Malla , Muzzaffar A. Mir
   J. Mol. Structure, 1173, (2018) 72-80
3. Tetracene based Single Electron Transistor as Chlorine sensor
   Barsha Jain, B. SanthiBhushan, K. Vinod Kumar, K. Gaurav, Anurag Srivastava, Manisha Pattanaik
   Journal of Comp. Electronics (2018) Accepted (in Print)
4. Chromium Influenced High Magnetic Moment and Half-Metallic Nature of GaN Nanotube
   Manjeet Bhatia, Uma Shankar Sharma, Anurag Srivastava
   J. Nanosci. Nanotechnol. (2018) 18 doi:10.1166/jnn.2018.16286 1
5. Computational Investigations of Cu-embedded MoS2 Sheet for CO Oxidation Catalysis
   Archana Sharma, Anurag Srivastava, Mushahid Hussain, Md. Shahid Khan
   Journal of Materials Science (2018) Accepted
6. Journal of Materials Science (2018) Accepted
   Anurag Srivastava, Mohammad Shahzad Khan, Rajeev Ahuja
   Solid State Communication 272 (2018): 1-7
7. Trade-off between Quantum Capacitance and Thermodynamic Stability of Defected Graphene: An Implication for Supercapacitor Electrodes
   B. SanthiBhushan and Anurag Srivastava
   Applied Nanoscience (2018) Accepted
8. Electron Transport in Ammonia Adsorbed Functionalized Carbon Nanotube
   Sushmita Dandeliya, Mohd. Shahzad Khan and Anurag Srivastava
   Journal of Nanoelectronics and Optoelectronics 13 (2018): 306-313
9. Sensing of CO and NO on Cu-doped MoS2 Monolayer Based Single Electron Transistor: A First Principles Study
   Archana Sharma, Anu, Md. Shahid Khan, Mushahid Hussain, Mohd. Shahzad Khan and Anurag Srivastava
   IEEE Sensors (2018): DOI10.1109/JSEN.2018.2801865
10. Synthesis, characterization, computational studies and biological evaluation of S-benzyl-β-N-[3- (4-hydroxy- 3-methoxy- phenylallylidene)]dithiocarbazate
    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.
    Journal of Molecular Structure 1156(2018): 280-289
11. Quantum Capacitance Estimations of Pyrrolic Rich Graphene for Supercapacitor Electrodes
    Boddepalli SanthiBhushan, Mohammad Shahzad Khan, Vijay Kumar Bohat and Anurag Srivastava
    IEEE Transaction-Nanotechnology (2017) doi: 10.1109/TNANO.2017.2786715 Accepted
12. Electronic and optical properties of functionalized zigzag ZnO nanotubes
    Anurag Srivastava Priya Gupta, Md. Shahzad Khan, Mohammed Benali Kanoun, Souraya Goumri-Said
    Journal of Molecular Modeling (2017) DOI: 10.1007/s00894-017-3556-9
13. Electron Transport in Ammonia adsorbed functionalized CNT
    Sushmita Dandeliya and Anurag Srivastava
    Journal of Nanoelectronics and OptoElectronics (2017)
14. First Principle Study of Single Electron Transistor Based on Metal-organic Complex of Dibenzothiophene
    Anu, Anurag Srivastava and Mohd Shahid Khan
    Organic Electronics, 53, 227-234 (2017)
15. High-Performance Single-Electron Transistor Based on Metal-Organic Complex of Thiophene: First Principle Study
    Anu, Archana Sharma, Md Shahzad Khan, Anurag Srivastava, Mushahid Husain, and Mohd Shahid Khan
    IEEE Transactions on Electron Devices (2017)
16. Synthesis, characterization, cytotoxicity, cell cycle analysis of 3-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl) thiourea and quantum chemical analyses
    Mushtaque, Md, Fernando Avecilla, Md Shahzad Khan, Zubair Bin Hafeez, M. Moshahid A. Rezvi, and Anurag Srivastava
    Journal of Molecular Structure 1141 (2017): 119-132
17. Electron Transport in HBr Adsorbed Boron doped Carbon Nanotube
    Reena Srivastava, Md. Shahzad Khan, Sadhna Shrivastava, Anurag Srivastava, Apparao Rao and Ramakrishna Podila
    Chemical Physics Letter, 667, 199-205(2017)
18. Synthesis, stereochemistry determination, pharmacological studies and quantumchemical analyses of bisthiazolidinone derivative
    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
    Journal of Molecular Structure 1127 (2017): 99-113.
19. Optical properties of boron-group (V) hexagonal nanowires: DFT investigation
    B. Santhibhushan, Mahesh Soni, and Anurag Srivastava
    Pramana-J. Phys 89 (2017): 14.
20. Electronic and structural investigation of buckled antimonene using density functional theory calculation Study
    Md Shahzad Khan, Rahul Ratn, and Anurag Srivastava
    Pramana-J. Phys 89 (2017): 1-3
21. Defect-Engineered Graphene for High-Energy and High-Power-Density Supercapacitor Devices
    Jingyi Zhu, Anthony S. Childress, Mehmet Karakaya, Sushmita Dandeliya, Anurag Srivastava, Ye Lin, Apparao M. Rao, and Ramakrishna Podila*
    Advanced Materials 28, 7185-7192 (2016)
22. First principle analysis of (10-Boranylanthracene-9-yl) borane-based molecular single-electron transistor for high-speed low-power electronics
    Boddepalli SanthiBhushan, Mohammad Shahzad Khan, Anurag Srivastava, and Mohammad Shahid Khan
    IEEE Transactions on Electron Devices 63, no. 3 (2016): 1232-1238
23. Transport Phenomenon in Boron-group V Linear Atomic Chains under Tensile Stress for Nanoscale Device and interconnects: First Principles Analysis
    B. Shantibhushan, Md. Shahzad Khan, Anurag Srivastava, Souraya Goumri Said, Ashok Srivastava
    IEEE Transactions on Electron Devices 63, no. 12 (2016): 4899-4906.
24. Magnetism in zigzag and armchair CuO nanotubes: Ab-initio study
    Samir Paudel, Sushmita Dandeliya, Rajneesh Chaurasiya, Anurag Srivastava, and Gopi Chandra Kaphle
    Journal of Magnetism and Magnetic Materials 406 (2016): 8-14
25. Investigation on transport property of In 2 O 3 molecular device—A first-principles study
    Deekshitha, M., Anurag Srivastava, and R. Chandiramouli
    Microelectronic Engineering 151 (2016): 1-6.
26. First-principles insights of CO adsorption characteristics on Ge and In substituted silicene nanosheet
    R. Chandramouli Anurag Srivastava
    Silicon 9, no. 3 (2017): 327-337
27. Geometry dependent structural and electronic properties of Cds nanowires: An ab-initio study
    Anurag Srivastava Md. Shahzad Khan
    Superlattices and Microstructures 101 (2017): 306-314
28. Electronic properties of a pristine and NH3/NO2 adsorbed buckled arsenene monolayer
    Md. Shahzad Khan, Anurag Srivastava, Ravindra Pandey
    RSC Advance 6, no.76(2016):72634-72642
29. Influence of Boron Substitution on conductance of Pyridine and Pentane based Molecular Single Electron Transistors: First Principles Analysis
    Anurag Srivastava, Vikas Sharma and Kamalpreet
    Journal of Electronic Materials 45, no. 4 (2016): 2233-2241
30. Defect and functionalized graphene for supercapacitor electrodes
    Anurag Srivastava et al.
    Superlattice and Microstructures, 98,306-315 (2016)
31. NH3 and NO2 adsorption analysis of GaN nanotube: A First principle investigation
    Md. Shahzad Khan, Anurag Srivastava
    Journal of Electroanalytical Chemistry, 775, 243-250 (2016)
32. Aromaticity Influence on Electron Transport of Molecular Single Electron Transistor: DFT Investigation
    Boddepalli SanthiBhushan, Anurag Srivastava, Jyoti Bhadouria, Rinkoo Bhatia, and Pankaj Mishra
    In Nanoelectronic and Information Systems (iNIS), 2016 IEEE International Symposium on, pp. 113-117. IEEE, 2016
33. Bandgap and magnetic moment of Ga1-xCrxN
    Manjeet Bhatia and Anurag Srivastava
    In AIP Conference Proceedings, vol. 1832, no. 1, p. 090045. AIP Publishing, 2017
34. Bandgap Tuning of SWCNT (5, 5) Through Boron Doping: Ab-Initio Analysis
    Sumit Kumar Jain, Anurag Srivastava, and O. P. Sinha.
    Quantum Matter 5, no. 3 (2016): 406-410
35. Ab-Initio Analysis of Electronic Properties of CdO Nanotubes
    Priya Gupta, Anurag Srivastava, Neha Tyagi, and Rachana Kathal.
    Quantum Matter 5, no. 3 (2016): 372-374
36. Dopant-configuration controlled carrier scattering in graphene
    Benoy Anand, Mehmet Karakaya, Gyan Prakash, S. Siva Sankara Sai, Reji Philip, Paola Ayala, A. K. Sood, Anurag Srivastava, Apparao Rao and Ramakrishna Podila
    RSC Advances 5, no. 73 (2015): 59556-59563., DOI: 10.1039/C5RA05338B
37. NO adsorption studies on silicene nanosheet: DFT investigation
    R. Chandramouli, Anurag Srivastava, V. Nagarjan
    Applied Surface Science 351 (2015): 662-672
38. Band structure and transport studies on impurity substituted InSe Nanosheet - A first-principles investigation
    Anurag Srivastava, R. Chandramouli
    Superlattices and Microstructures, Volume 79, March 2015, Pages 135-14
39. First-principles insights on electron transport in V2O5 nanostructures
    Anurag Srivastava, R. Chandramouli
    Materials Science and Engineering: B 201 (2015): 45-50. DOI:10.1016/j.mseb.2015.08.001
40. Unique electron transport in ultrathin black phosphorene: ab-initio study
    Anurag Srivastava, Mohd. Shahzad Khan, Sanjeev Kumar Gupta, Ravindra Pandey
    Applied Surface Science 356 (2015): 881-887
41. NH3 and PH3 adsorption through single walled ZnS nanotube: First Principle insight
    Md. Shahzad Khan, Anurag Srivastava, Rajneesh Chaurasiya, Mohd. Shaid Khan, Piyush Dua
    Chemical Physics Letters Volume 636, 1 September 2015, Pages 103–109
42. Electronic Transport Properties of BN sheet on Adsorption of Ammonia (NH3) Gas
    Anurag Srivastava, Chetan Bhatt, Sumit Kumar Jain, Pankaj Mishra and Ranjeet Brajpuria
    J Mol Model (2015) 21: 39 DOI 10.1007/s00894-015-2595-3
43. Electron transport properties of a single-walled carbon nanotube in the presence of hydrogen cyanide: first-principles analysis
    Anurag Srivastava, Vikas Sharma, Kamalpreet, Mohd. Shahzad Khan, Rajeev Ahuja and V. K. Rao
    J Mol Model (2015) 21: 173 DOI 10.1007/s00894-015-2720-3
44. Phase Transitions in CeX (X=N, P, As, Sb) Pnictides
    Anurag Srivastava, Madhu Sarwan, Neha Tyagi and Sadhana Singh
    Advance Science Letters 2015
45. Shape dependent structural stability, electronic and optical properties of CdO nanowire
    Rajneesh Chaurasiya, Md Shahzad Khan, and Anurag Srivastava
    In Nanoelectronic and Information Systems (iNIS), 2015 IEEE International Symposium on, pp. 252-256. IEEE, 2015
46. NH3 Adsorption on Arsenene: A First Principle Study
    Md Shahzad Khan, Venkatesh Ranjan, and Anurag Srivastava
    In Nanoelectronic and Information Systems (iNIS), 2015 IEEE International Symposium on, pp. 248-251. IEEE, 2015
47. CO Adsorption on In-groupV Zig-Zag Nanowires: First Principles Analysis
    B. Santhibhushan, Md Shahzad Khan, and Anurag Srivastava
    In Nanoelectronic and Information Systems (iNIS), 2015 IEEE International Symposium on, pp. 303-307. IEEE, 2015
48. First Principle Insight of Methane Adsorption Through Single Walled Carbon Nanotube
    Reena Srivastava, Sadhana Shrivastava, Uma Shankar Sharma, and Anurag Srivastava
    Advanced Science Letters 21, no. 9 (2015): 2884-2886
49. Ab-Initio Analysis of Mechanical Properties of CeX (X= N, P, As, Sb)
    Madhu Sarwan, Anurag Srivastava, and Sadhna Singh
    Advanced Science Letters 21, no. 9 (2015): 2925-2929
50. Study of Ground State Parameters and Pressure Induced Phase Transition in Cerium Bismuthide
    Rekha Garg Solanki, Anurag Srivastava, and P. Rajaram
    Advanced Science Letters 21, no. 9 (2015): 2915-2917
51. Ab-Initio Analysis of Graphene Based Ammonia Sensor
    Arvind Tyagi and Anurag Srivastava
    Advanced Science Letters 21, no. 9 (2015): 2811-2814
52. Structural and Electronic Properties of Mn Decorated BN Nanotube
    Sushmita Dandeliya and Anurag Srivastava
    Advanced Science Letters 21, no. 9 (2015): 2845-2849
53. Effect of Annealing on Magnetic Properties of Zinc Ferrite Nanoparticles
    Uma Shankar Sharma, Ram Naresh Sharma, Rashmi Shah and Anurag Srivastava
    Advanced Science Letters 21, no. 9 (2015): 2786-2789.
54. Pressure Induced Phase Transition in Platinum Hydride
    Rahul Kumar Thakur, Anurag Srivastava, Lalit Mohan, Pankaj Mishra, Ranjeet Brajpuria and Rekha Garg Solanki
    Advanced Science Letters 21, no. 9 (2015): 2865-2867
55. Exploring the Size Dependence of Structural, Electronic, Mechanical and Transport Properties of Hexagonal BAs Nanowire
    B. SanthiBhushan, Sumit Kumar Jain and Anurag Srivastava
    Advanced Science Letters 21, no. 9 (2015): 2850-2854
56. Electronic Properties of Defected Silicene Sheet
    Neha Saxena and Anurag Srivastava
    Advanced Science Letters 20, no. 7-8 (2014): 1605-1607. 2014
57. Ab-initio Analysis and Impurity added benzene based multi-island Single Electron Transistor
    Kamalpreet, Vikas Sharma and Anurag Srivastava
    Advanced Science Letters 20, no. 7-8 (2014): 1535-1539
58. Stability and Bandgap Analysis of Fe doped GaN Nanotubes
    Anurag Srivastava and Sumit Kumar Jain
    Advanced Science Letters 20, no. 7-8 (2014): 1624-1630
59. Electronic Properties of Graphene Based Hydrogen Cyanide Sensor
    Anurag Srivastava, Vikash Sharma and Arvind Tyagi
    Advanced Science Letters, 20(7-8), pp.1570-1573
60. Doping induced Structural Stability and Electronic Properties of GaN nanotubes
    Anurag Srivastava, Mohammad Irfan Khan, Neha Tyagi and Purnima Swaroop Khare
    The Scientific World Journal 2014(2014) Article ID 984591
61. Band Gap Analysis of Zigzag shaped Hydrogen Passivated GaN Nanotubes
    Mohammad Irfan Khan, Anurag Srivastava and Neha Tyagi
    Quantum Matter 4, no. 2 (2015): 132-138
62. Electronic Properties of Hydrogenated Single Walled GaAs Nanotubes
    Sumit Kumar Jain, Anurag Srivastava, Neha Tyagi, and Poornima Swaroop Khare
    Quantum Matter 4, no. 2 (2015): 139-144
63. Ab-initio study of Structural, Electronic and Transport Properties of Zigzag GaP Nanotubes
    Anurag Srivastava, Sumit Jain and Purnima Swarup Khare
    J. Mol. Modeling (2014)20:2171 Communicated
64. Orientation Dependent Performance Analysis of Benzene/Graphene Based Single Electron Transistor
    Anurag Srivastava, Ritu Sharma, Priyanka Chauhan, Uma Shankar Sharma, Chetan Pathak
    Journal of Electronic Materials (2014) doi: 10.1007/s11664-014-3272-5
65. Pyridine and Pentane based Single-Electron Transistor: Ab-initio Study
    Anurag Srivastava, Vikas Sharma and Kamalpreet
    Journal of computational and theoretical chemistry (2014) Under review
66. Structural and Elastic Properties of ZrN and HfN: Ab initio Study
    Anurag Srivastava and Bhoopendra Dhar Diwan
    Canadian Journal of Physics 10.1139/cjp-2013-0377(2013)
67. Charge Stability and Conductance Analysis of Anthracene Based Single Electron Transistor
    Anurag Srivastava, Boddepalli Santhibhushan and Pankaj Dobwal
    International Journal of Nanoscience 12,1350045(2013)
68. TCAD Assessment of Dielectrics and Channel Doping Impact in Junctionless Double Gate MOSFET
    Boddepalli Santhibhushan, Anurag Srivastava, Pankaj Dobwal
    Journal of Computational and Theoretical Nanoscience 12, no. 8 (2015): 1924-1930
69. Impact of HFO2 in Graded channel Dual insulator double gate MOSFET
    Boddepalli Santhibhushan, Pankaj Dobwal and Anurag Srivastava
    Journal of Computational and Theoretical Nanoscinece Under review
70. InGaAs and HfO2 Based Junctionless Vertical Double Gate MOSFET: Performance Analysis
    Pankaj Dobwal, Boddepalli Santhibhushan and Anurag Srivastava
    Journal of Computational and Theoretical Nanoscience 12, no. 1 (2015): 101-104