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)
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, . 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, .
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, . 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
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
Electronic structure modification of the KTaO3 single-crystal surface by Ar+ bombardment: Neha Wadehra, Ruchi Tomar, Soumyadip Halder, Minaxi Sharma, Inderjit Singh, Nityasagar Jena, Bhanu Prakash,Chandan Bera, Ananth Venkatesan, S Chakraverty, (2017) Physical Review B, 96: 115423. DOI: https://doi.org/10.1103/PhysRevB.96.115423
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.
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.
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.
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)
(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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