Reg. No.: PH19236
Reg. No.: PH19228
Reg. No.: PH14216
Reg. No.: PH16203
Reg. No.: PH16239
Reg. No.: PH18203
Reg. No.: PH19226
Reg. No.: CNRS Postdoctoral Fellow, Nancy, France since 20th November, 2019 (upon completion of his Ph.D. under my supervision)
Reg. No.: CNRS Postdoctoral Fellow, Nancy, France since 20th November, 2019 (upon completion of his Ph.D. under my supervision)
An Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu2Zn1-xCdxSnS4 Heterointerface for Photovoltaic Applications: Sachin R. Rondiya, Yogesh Jadhav, Nelson Y. Dzade, Raihan Ahammed, Tanmay Goswami, Abir De Sarkar, Sandesh Jadkar, Santosh K. Haram, Hirendra N. Ghosh, (2020) ACS Applied Energy Materials, . DOI: 10.1021/acsaem.9b02314
Superhigh flexibility and out-of-plane piezoelectricity together with strong anharmonic phonon scattering induced extremely low lattice thermal conductivity in hexagonal buckled CdX (X= S, Se: Manish Kumar Mohanta, Ashima Rawat, Nityasagar Jena,Raihan Ahammed,Abir De Sarkar*, (2020) Journal of Physics: Condensed Matter, . DOI: 10.1088/1361-648X/ab8d73
Nanoscale Interfaces of Janus Monolayers of Transition Metal Dichalcogenides for 2D Photovoltaic and Piezoelectric Applications: 1. Ashima Rawat, Manish Kumar Mohanta, Nityasagar Jena, Dimple, Raihan Ahammed, Abir De Sarkar*, (2020) Journal of Physical Chemistry C, . DOI: 10.1021/acs.jpcc.0c02199
Tweaking the physics of interfaces between monolayers of buckled cadmium sulfide for a superhigh piezoelectricity, excitonic solar cell efficiency and thermoelectricity: Manish Kumar Mohanta, Abir De Sarkar*, (2020) ACS Applied Materials & Interfaces, 12: 18123-18137. DOI: 10.1021/acsami.0c00864
Impact of transverse and vertical gate electric field on vibrational and electronic properties of MoS2: Renu Rani, Nityasagar Jena, Anirban Kundu, Abir De Sarkar*, Kiran Shankar Hazra*, (2020) Journal of Applied Physics, 127: 145101. DOI: 10.1063/1.5131845
Electrochemically customized assembly of a hybrid xerogel material via combined covalent and non-covalent conjugation chemistry: an approach for boosting the cycling performance of pseudocapa: Taniya Purkait, Dimple, Navpreet Kamboj, Manisha Das, Subhajit Sarkar, Abir De Sarkar, Ramendra Sundar Dey*, (2020) Journal of Materials Chemistry A, 8: 6740-6756. DOI: 10.1039/D0TA02477E
Ultra-low lattice thermal conductivity and giant phonon-electric field coupling in hafnium dichalcogenide monolayers: Dimple, Manish Kumar Mohanta, Ashima Rawat, Nityasagar Jena, Raihan Ahammed, Abir De Sarkar*, (2020) Journal of Physics: Condensed Matter, . DOI: 10.1088/1361-648X/ab7e5f
Proton Triggered Fluorescence Switching in Self-Exfoliated Ionic Covalent Organic Nanosheets for Applications in Selective Detection of Anions: arpreet Singh, Manisha Devi, Nityasagar Jena, Mohamed Musthafa Iqbal, Yogendra Nailwal, Abir De Sarkar*, Santanu Kumar Pal*, (2020) ACS Applied Materials & Interfaces, 12: 13248-13255. DOI: 10.1021/acsami.9b20743
The role of exfoliating solvents for control synthesis of few-layer graphene-like nanosheets in energy storage applications: Theoretical and experimental investigation: Taniya Purkait, Raihan Ahammad, Abir De Sarkar, Ramendra Sundar Dey*, (2020) Applied Surface Science, 509: 145375. DOI: 10.1016/j.apsusc.2020.145375
Interfacing boron monophosphide with molybdenum disulphide for an ultrahigh performance in thermoelectrics, 2D excitonic solar cells and nanopiezotronics: Manish Kumar Mohanta, Ashima Rawat, Nityasagar Jena, Dimple, Raihan Ahammed,Abir De Sarkar*, (2020) ACS Applied Materials & Interfaces, 12: 3114-3126. DOI: 10.1021/acsami.9b16866
Electronic, quantum transport and optical properties analysis of doped phosphorene sheet: Sukhbir Singh, Abir De Sarkar, Inderpreet Kaur, (2020) International Journal of Environmental Analytical Chemistry, . DOI: 10.1080/03067319.2019.1686489
ZrS3/MS2 and ZrS3/MXY (MMo, W; X, YS, Se, Te; X ≠ Y) type-II van der Waals hetero-bilayers: Prospective candidates in 2D excitonic solar cells: Raihan Ahammed, Ashima Rawat, Nityasagar Jena, Dimple, Manish Kumar Mohanta,Abir De Sarkar*, (2020) Applied Surface Science, 499: 143894. DOI: 10.1016/j.apsusc.2019.143894
Single-phase Ni5P4-Copper foam superhydrophilic and aerophobiccore-shell nanostructures for efficient hydrogen evolution reaction: Manisha Das, Nityasagar Jena, Taniya Purkait, Navpreet Kamboj, Abir De Sarkar, Ramendra Sundar Dey*, (2019) Journal of Materials Chemistry A, 10.1039/C9TA06729A: . DOI: 10.1039/C9TA06729A
Superhigh out-of-plane piezoelectricity, low thermal conductivity and photocatalytic abilities in ultrathin 2D van der Waals heterostructures of Boron Monophosphide and Gallium Nitride: Manish Kumar Mohanta, Ashima Rawat, Dimple, Nityasagar Jena, Raihan Ahammed, (2019) Nanoscale, 11: 21880-21890. DOI: 10.1039/C9NR07586K
Valley drift and valley current modulation in a strained monolayer MoS2: Nityasagar Jena, Dimple, Raihan Ahammed, Ashima Rawat, Manish Kumar Mohanta, (2019) Physical Review B, 110: 165413. DOI: 10.1103/PhysRevB.100.165413
Solar Energy Harvesting in Type II van der Waals Heterostructures of Semiconducting Group III Monochalcogenide Monolayers: Ashima Rawat, Raihan Ahammed, Dimple Sharma, Nityasagar Jena, Manish Kumar Mohanta, (2019) Journal of Physical Chemistry C, 123: 12666-12675. DOI: https://doi.org/10.1021/acs.jpcc.9b03359
Electronic, Quantum Transport and Optical Properties Analysis of Doped Phosphorene Sheet: Sukhbir Singh,Inderpreet Kaur, (2019) International Journal of Environmental Analytical Chemistry, accepted.
Nano-hives for plant stimuli controlled targeted ironfertilizer application: Pulkit Bindra, Kamaljit Kaur, Ashima Rawat,Monika Singh and Vijayakumar Shanmugam, (2019) Chemical Engineering Journal, 375: 121995. DOI: 10.1016/j.cej.2019.121995
A comprehensive study in carrier mobility and artificial photosynthetic properties in Group VI B transition metal dichalcogenide monolayers: Ashima Rawat, Nityasagar Jena, Dimple, (2018) Journal of Materials Chemistry A, 6: 8693-8704. DOI: 10.1039/C8TA01943F
Emergence of high piezoelectricity along with robust electron mobility in Janus structures in semiconducting Group IVB dichalcogenide monolayers: Dimple, Nityasagar Jena, Ashima Rawat, Raihan Ahammed, Manish Kumar Mohanta, (2018) Journal of Materials Chemistry A, 6: 24885-24898. DOI: 10.1039/C8TA08781D
Electronic structure modification of the KTaO3 single-crystal surface by Ar+ bombardment: N. Wadehra,R. Tomar,S. Halder,M. Sharma,I. Singh,N. Jena,B. Prakash,A. D. Sarkar,C. Bera,A. Venkatesan,S. Chakraverty, (2017) Physical Review B, 96: 115423(6). DOI: 10.1103/PhysRevB.96.115423
Ar+ bombardment induced electronic band modifications in KTaO3 single crystal surfaces: N Wadehra, R. Tomar, S. Halder, M. Sharma, I. Singh, N.Jena,Bhanu Prakash,A. Venkateshan,S Chakraverty, (2017) Physical Review B,, 96: 115423.
Truxene based Porous, Crystalline Covalent Organic Frameworks and it’s Applications in Humidity Sensing: Harpreet Singh, Vijay K. Tomer, Nityasagar Jena, Indu Bala, Nidhi Sharma, Devadutta Nepak, Santanu Pal*, (2017) Journal of Materials Chemistry A, 5: 21820-21827. DOI: 10.1039/C7TA05043G
Strain and pH facilitated artificial photosynthesis in monolayer MoS2 nanosheet: Dimple, Nityasagar Jena, Ashima Rawat, (2017) Journal of Materials Chemistry A, 5: 22265-22276. DOI: 10.1039/C7TA06747J
Compressive strain induced enhancement in thermoelectric-power-factor in monolayer MoS2 nanosheet: Dimple, Nityasagar Jena, (2017) Journal of Physics: Condensed Matter, 29: 225501. DOI: 10.1088/1361-648X/aa6cbc
Electronic and Transport behavior of doped Armchair Silicene Nanoribbon Exhibiting Negative Differential Resistances and its FET Performance: Sukhbir Singh,Bijender Singh, Inderpreet Kaur, (2017) RSC Advances, 1: 12783–12792. DOI: 10.1039/C6RA27101D
Controlled formation of Nanostructures on MoS2 Layers by Focused Laser Irradiation: Renu Rani, Dimple, Nityasagar Jena, Anirban Kundu, Kiran Shankar Hazra, (2017) Applied Physics Letters, 110: 083101. DOI: https://doi.org/10.1063/1.4976692
Nano-structured hybrid Molybdenum Carbides/Nitrides generated in-situ for HER Applications: Rajinder Kumar, Ritu Rai, Seema Gautam,N. Tiwari, Shambhu Nath Jha, Dibyendu Bhattacharyya, Ashok K Ganguli,Vivek Bagchi, (2017) Journal of Materials Chemistry A, 5: 7764-7768. DOI: 10.1039/C7TA01815K
A comparative and a systematic study on the effects of B, N doping and C-atom vacancies on the band gap in narrow zig-zag graphene nanoribbons via quantum transport calculations: Sukhbir Singh, Inderpreet Kaur, (2017) Materials Research Bulletin, 87: 167–176. DOI: 10.1016/j.materresbull.2016.11.038
Strain Induced Optimization of Nanoelectromechanical Energy Harvesting and Nanopiezotronic Response in MoS2 Monolayer Nanosheet: Nityasagar Jena, Dimple, Shounak Dhananjay Behere, (2017) Journal of Physical Chemistry C, 121: 9181–9190. DOI: https://doi.org/10.1021/acs.jpcc.7b01970
Controlled formation of nanostructures on MoS2 layers by focused laser irradiation: Renu Rani, Dimple, Nityasagar Jena, Anirban Kundu, Abir De Sarkar, Kiran Shankar Hazra, (2017) Applied Physics Letters, 110: 083101.
Dual response of graphene based ultrasmall molecular junction to defect engineering: K.-P. Dou, X.-X. Fu,R.-Q. Zhang, (2016) Nanoresearch, 9: 1480–1488. DOI: 10.1007/s12274-016-1044-7
A systematic investigation on acetylene activation and hydracyanation of the activated acetylene on Au_n (n=3-10) clusters via density functional theory: Seema Gautam,Abir De Sarkar, (2016) Phys. Chem. Chem. Phys, 18: 13830-13843. DOI: 10.1039/C6CP01714B
Influence of Boron Substitution on Conductance of Pyridine- and Pentane-Based Molecular Single Electron Transistors: First-Principles Analysis: A. Srivastava, B. Santhibhushan, V. Sharma, K. Kaur, Md. Shahzad Khan, Madura Marathe,Mohd. Shahid Khan, (2016) J of Electronic Materials, 45: 2233–2241.
Tailoring the transmission lineshape spectrum of zigzag graphene nanoribbon based heterojunctions via controlling their width and edge protrusions: K.P. Dou, X.X. Fu,R.Q. Zhang, (2015) Nanoscale, 7: 20003-20008.. DOI: 10.1039/C5NR05736A
Functionalization of hydrogenated graphene by polylithiated species for efficient hydrogen storage: T. Hussain,R. Ahuja, (2014) International Journal of Hydrogen Energy, 39: 2560-2566.
Screening study of light-metal and transition-metal-doped NiTiH hydrides as Li-ion battery anode materials: Z. Qian, X. Jiang, T. A. Maark, M. D. Deshpande, M. Bououdina, B. Johannson, R. Ahuja, (2014) Solid State Ionics, 258: 88-91.
Improvement in the desorption of H2 from the MgH2 (110) surface by means of doping and mechanical strain: W.-W. Sun, T. Hussain,T. A. Maark, R. Ahuja, (2014) Computational Materials Science, 86: 165-169.
Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet: T. Kaewmaraya,B. Sa, Z. Sun, R. Ahuja, (2014) Computational Materials Science, 91: 38-42.
Shear strain induced indirect to direct transition in band gap in AlN monolayer nanosheet: P. Liu,R. Ahuja, (2014) Computational Materials Science, 86: 206-210.
Electronic charge transport through ZnO nanoribbons: Rajeev Ahuja, (2014) Journal of Physics and Chemistry of Solids@Elsevier, 75: 1223-1228. DOI: 10.1016/j.jpcs.2014.06.009
Electronic and Vibrational Properties of Stable Isomers of (SiO)n(0,±) (n = 2-7) Clusters: Hongbo Du, Shuping Huang,Wenjie Fan, Yu Jia, Ruiqin Zhang, (2014) Journal of Physical Chemistry-A, 118: 8893–8900.
Hydrogen storage in polylithiated BC3 monolayer sheet: Y. Li, T. Hussain,R. Ahuja, (2013) Solid State Communications, 170: 39-43.
TiO2 based gas sensor: a possible application to SO2: J. Nisar*, Z. Topalian, L. Osterlund, R. Ahuja, (2013) ACS Appl. Mater. Interfaces, 5: 8516–8522.
Pure and Li-doped NiTiH: potential anode materials for Li-ion rechargeable batteries: Z. Qian,T. A. Maark, X. Jiang, M. Deshpande, M. Bououdina, R. Ahuja, (2013) Applied Physics Letters, 103: 033902.
Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for enhanced NH3 storage: B. Pathak, R. Ahuja,Y. Li, (2013) Applied Physics Letters, 102: 243905.
Size dependent catalytic effect of TiO2 clusters in water dissociation: Haisheng Li, Qiang Sun, Yu Jia, Rui-Qin Zhang,Hongbo Du, (2013) Journal of Molecular Catalysis A, 366: 163-170.
Hexagonal boron nitride sheet decorated by polylithiated species for efficient and reversible hydrogen storage: T. Hussain,T. W. Kang, R. Ahuja, (2013) Science of Advanced Materials, 5: 1-7.
Strain induced Li functionalized graphane as a high capacity hydrogen storage material: Tanveer Hussain,Rajeev Ahuja, (2012) Applied Physics Letters, 101: 103907 (5 pages).
Characteristic vibrational modes of H2O adsorbed molecularly and dissociatively on titanium oxide clusters: Hongbo Du,Yu Jia, Rui-Qin Zhang, (2012) Journal of Theoretical and Computational Chemistry, 11(6): 1289-1295.
Excited state property of silicon quantum dots: R. Q. Zhang,Thomas A. Niehaus, Thomas Frauenheim, (2012) Physica Status Solidi B, 249: 401-412.
Polylithiated (OLi2) functionalized graphane as a potential hydrogen storage material: Rajeev Ahuja,Tanveer Hussain, Tuhina Adit Maark, (2012) Applied Physics Letters, 101: 243902 (4 pages).
Inducing novel electronic properties in Ge nanowires by variations in its size, shape and strain: a first-principles computational study: Rui-Qin Zhang,Chao Zhang, (2012) J. Phys.: Condens. Matter, 24: 015301.
First-principles study on the origin of ferromagnetism in n-type Cu-doped ZnO: R.Q. Zhang,D. Q. Fang, (2012) Solid State Communications, 152: 1057–1060.
Strain induced band dispersion engineering in silicon nanosheet: Chao Zhang,Rui-Qin Zhang, (2011) Journal of Physical Chemistry C, 115: 23682.
Surface nitrogenation induced thermal conductivity attenuation in silicon nanowires: H. P. Li,R. Q. Zhang, (2011) Europhys. Lett., 96: 56007.
Intramolecular Torsion Based Molecular Switch Functionality Enhanced in π-Conjugated Oligomolecules by a π-Conjugated Pendant Group: K. P. Dou,C. L. Wang, R. Q. Zhang, (2011) Journal of Physical Chemistry C, 115: 13911- 13918.
A NOR logic gate using a single molecule and two surface gold atoms to encode the logical input: W.-H. Soe, C. Manzano, F. Ample, N. Chandrasekhar, N. Renaud, P. de Mendoza, A. M. Echavarren, M. Hliwa ,C. Joachim, (2011) Physical Review B, 83: 155443-1 to 155443-8.
Manipulating Molecular Quantum States with Classical Metal Atom Inputs: Demonstration of a Single Molecule NOR Logic Gate: W.-H. Soe, C. Manzano, N. Renaud, P. de Mendoza, F. Ample, M. Hliwa, A. M. Echavarren, N. Chandrasekhar,C. Joachim, (2011) American Chemical Society (ACS) NANO, 5: 1436-1440.
Conductivity enhancement by surface chemistry in silicon nanowires: Rui-Qin Zhang, Kun-Peng Dou, (2011) Nanoscience & Nanotechnology-ASIA, 1: 177.
The electronic transparency of a single CO molecule at contact: Francisco Ample, Christian Joachim, (2010) Chemical Physics Letters,, 484: 237 – 241.
Conformational dependence of tag inducedintramolecular STM contrast in hexaphenylbenzene molecules": Carlos Manzano, We-Hyo Soe, Natarajan Chandrasekhar,Andre Gourdon,Christian Joachim, (2009) Surface Science Letters, 603: L57-L61.
Direct Observation of Molecular Orbitals of Pentacene Physisorbed on Au(111) by Scanning Tunneling Microscope: W.-H. Soe, C. Manzano,N. Chandrasekhar,C. Joachim, (2009) Physical Review Letters,, 102: 176102-176104.
Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces: Adam Kiejna, Georg Kresse, Jutta Rogal,Karsten Reuter, and Matthias Scheffler, (2006) Physical Review B, 73: 035404-1 to 035404-8.
CO oxidation and NO reduction over supported Pt-Rh and Pd-Rh nanocatalysts : A comparative study: Badal C. Khanra, (2005) Journal of Molecular Catalysis A, 229: 25 – 29.
Microkinetic model studies of impurity effects on CO+O2, CO+NO and CO+NO+O2 reactions on supported Pt-Rhnanocatalysts", Chemical Physics Letters: Badal C. Khanra, (2004) Chemical Physics Letters, 384: 339 – 343.
Microkinetic model studies of alloying effects on the CO+NO+O2 reactions over Pt-Rh nanocatalysts: Badal C. Khanra, (2004) Indian Journal of Chemistry, 43A: 464 – 472.
Model studies on segregation and catalytic properties of supported Pt-Rh nanocatalysts: Badal C. Khanra, (2004) Indian Journal of Chemistry, 43A: 1033 – 1038.
Impurity and Support Effects on the surface composition and the energetics of CO+NO reaction over Pt-Rh/CeO2 nanocatalysts: Badal C. Khanra, (2003) International Journal of Modern Physics B, 17: 4831 – 4839.
Influence of sulphur on the shell composition of Pt-Rh nanocatalysts : a theoretical model: Badal C. Khanra, (2002) Chemical Physics Letters, 353: 426 – 430.
Effect of temperature and adsorbates on the composition profile of Pt-Rh nanocatalysts: a comparative study: Badal C. Khanra, (2002) Physica B, 315: 82 – 87.
MC model studies of Ceria-metal interaction in Pt-Rh nanocatalysts: Badal C. Khanra, (2002) Indian Journal of Chemistry,, 41A: 1784 – 1788.
Modeling Silicon Nanostructure Surface Functionalization for Biological Detections: in: J. Zeng, R.-Q. Zhang, H.R. Treutlein (Eds.) Quantum Simulations of Materials and Biological Systems, Springer Netherlands R.-Q. Zhang, (2012) (Chapter 3), Print ISBN 978-94-007-4947-4, Online ISBN 978-94-007-4948-1, 33-51. DOI: (http://link.springer.com/chapter/10.1007/978-94-007-4948-1_3)
Theoretical Studies on Formation, Property Tuning and Adsorption of Graphene Segments, Physics and Applications of Graphene - Theory, Sergey Mikhailov (Ed.), InTech: R.Q. Zhang, (2011) (Chapter 1), ISBN: 978-953-307-152-7, . DOI: Available at
Saha Institute of Nuclear Physics (SINP), Kolkata, India
(Course work prior to Ph.D.), SINP, Kolkata, India
(Calcutta University, India) (First Class First: Rank 1) (Recipient of President's medal for having topped all the postgraduate disciplines)
(First class), St. Xavier’s College, Kolkata, Calcutta University, India (Awarded National Scholarship)
GATE-2000 (97.84 percentile, All India Rank - 34),
(10+2), (Rank 75, Awarded National Scholarship )
Professor (Scientist-F):Institute of Nano Science and Technology, Phase 10, Mohali, Punjab - 160062 (January 2020 to Present till date )
Associate Professor (Scientist E):Institute of Nanoscience and Technology (INST), Habitat Centre, Phase-X, Sector-64, Mohali-160 062, Punjab, India (March 2014 to December 2019 )
Assistant Professor, Department of Physics:Central University of Rajasthan, Tehsil: Kishangarh, Dist. Ajmer, India (April 2013 to March 2014 )
Wenner-Gren Researcher/Forskare at KTH (Royal Institute of Technology), Stockholm,:Sweden & Uppsala University, Uppsala, Sweden (August 2011 to April 2013 )
Senior Research Associate at the Department of Materials Science and Engineering:City University of, Hong Kong (June 2010 to June 2011 )
Research Scientist & Engineer on a A*STAR Visiting Investigator Program (VIP) between CEMES-CNRS, Toulouse, France and A*STAR:Singapore at the Institute of Materials Research and Engineering (IMRE-A*STAR), Singapore (May 2005 to May 2010 )
Max Planck Postdoctoral Fellow:Fritz Haber Institute of the Max-Planck Society, Berlin, Germany (May 2004 to April 2005 )
Completed Ph.D. in Physics in April, 2004 from the Saha Institute of Nuclear Physics:DAE Institute, Kolkata (February 2000 to May 2004 )
Prof. CNR Rao Award for Excellence in Nanoresearch for the year
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