2020 (6 published, 7 submitted)

127-) Atomic Scale Understanding of Gelatin-NCO Interaction
JACS submitted (2020)


126-) Lead-Free Stable Perovskites in 3D, 2D and 1D
The Journal of Chemical Physics Letters, submitted (2020)


125-) Defect States in Rhenium Disulphide: Theoretical and Experimental STM Study
Nature Communications submitted (2020)


124-) Strain tunable band structure of a new 2D carbon allotrope C568
The Journal of Chemical Physics Letters, submitted (2020)


123-) Novel Antiscalants for Hindering Calcification in Geothermal Water
Geothermics submitted (2020)


122-) Enhancing the Piezoelectric Response of Tantalum Sulphides by Surface Functionalization
Materials Research Bulletin submitted (2020)


121-) Kagome Silicene: A New Phase of Silicon
Nature Communications submitted (2020)


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120-) Fabrication of post-functionalizable, bio-repellent, electroactive polyurethane interface on gold surface by Surface-Assisted (SurfAst) polymerization
Langmuir accepted accepted (2020)
impact factor: 3.68


119-) Stable Single-Layers of Calcium Halides (CaX2, X = F,Cl,Br,I)
J. Chem. Phys. 152, 164116 (2020)
impact factor: 3.00


118-) Quantum Properties and Applications of 2D Janus Crystals and Their Superlattices
Applied Physics Reviews 7, 011311 (2020)
impact factor: 12.75


117-) The effect of DOPA hydroxyl groups on wet adhesion to polystyrene surface: An experimental and theoretical study
Materials Chemistry and Physics, 243 122606 (2020)
impact factor: 2.21


116-) Orthorhombic CsPbI3 Perovskites: Thickness-Dependent Structural, Optical and Vibrational Properties
Computational Condensed Matter, 23 e00453 (2020)
impact factor: 2.21


115-) Octahedrally coordinated single layered CaF2: robust insulating behaviour
Phys. Chem. Chem. Phys., 22, 2949 (2020)
impact factor: 3.57



2019 (16 published)

114-) Two-dimensional InF3 by chemical conversion of InSe
Nano Lett. 19, 9, 6475-6481 (2019)

impact factor: 12.08


113-) Vanadium Dopant- and Strain-Dependent Magnetic Properties of Single-Layer VI3
Applied Surface Science, 508 144937 (2019)

impact factor: 5.15


112-) Vertical van der Waals Heterostructure of Single Layer InSe and SiGe
J. Phys. Chem. C 2019, 123, 51, 3123231237 (2019)

impact factor: 4.48


111-) Parametrizing Nonbonded Interactions between Silica and Water from First Principles
Applied Surface Science, 504, 144359 (2019)

impact factor: 5.15


110-) Interaction of Ge with Single layer GaAs: Formation of Novel Stable Monolayers
Applied Surface Science, 505, 144218 (2019)

impact factor: 5.15


109-) Stacking-dependent excitonic properties of bilayer blue phosphorene
Phys. Rev. B 100, 125423 (2019)

impact factor: 3.84


108-) Gd+3 Doped alpha-CsPbI3 Nanocrystals with Better Phase Stability and Optical Properties
The Journal of Physical Chemistry C (2019)

impact factor: 4.48


107-) Color-Tunable All-Inorganic CsPbBr3 Perovskites Nanoplatelet Films for Photovoltaic Devices
ACS Appl. Nano Mater. 28 5149-5155 (2019)

impact factor: to be announced


106-) Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2
Journal of Magnetism and Magnetic Materials 493, 165668 (2020)

impact factor: 3.05


105-) Defect Tolerant and Dimension Dependent Ferromagnetism in MnSe2
Phys. Chem. Chem. Phys., 21, 16718-16725 (2019)

impact factor: 3.57


104-) Experimental and first-principles investigation of Cr-driven color change in cesium lead halide perovskites
Journal of Applied Physics 125, 225705 (2019)

impact factor: 2.18


103-) Green fabrication of lanthanide doped hydroxide-based phosphors: Y(OH)3:Eu3+ nanoparticles for white light generation
Beilstein J. Nanotechnol. 10, 1200 (2019)

impact factor: 2.97


102-) Raman fingerprint of stacking order in Ca(OH)2-HfS2 heterobilayer
Phys. Rev. B 99, 205405 (2019)

impact factor: 3.84


101-) Single-Layer Janus Type Platinum Dichalcogenides and Their Heterostructures
The Journal of Physical Chemistry C 123 (7), 4549-4557(2019)

impact factor: 4.48


100-) Increasing solubility of metal silicates by mixed polymeric antiscalants
Geothermics 77 106 (2019)

impact factor: 2.69


2018 (16 published)

99-) Monitoring the Crystal Orientation of Black-Arsenic via Vibrational Spectra
Journal of Materials Chemistry C, accepted (2018)
impact factor: 5.98


98-) Enhanced Stability In Single-Layer w-Gallenene Through Hydrogenation
J. Phys. Chem. C, 122 (49), pp 2830228309(2018)
impact factor: 4.54


97-) Hydrogenated derivatives of hexacoordinated metallic Cu2Si monolayer
RSC Advances, 8, 39976 - 39982 (2018)
impact factor: 2.94


96-) Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via vibrational spectrum
The Journal of Chemical Physics 149, 084707 (2018)
impact factor: 2.84


95-) Ab-initio and Semi-empirical Modelling of Excitons and Trions in Monolayer TiS3
Phys. Rev. B 98, 075419 (2018)
impact factor: 3.84


94-) Electronic and vibrational properties of PbI2: From bulk to monolayer
Phys. Rev. B 98, 085431(2018)
impact factor: 3.84


93-) Monolayer AsTe2: Stable Robust Metal in 2D, 1D and 0D
ChemPhysChem 10.1002/cphc.201800473
impact factor: 3.08


92-) Structural, Electronic and Phononic Properties of PtSe2: from Monolayer to Bulk
Semicond. Sci. Technol. 33 085002 (2018)
impact factor: 2.31


91-) Bilayers of Janus WSSe: Monitoring the Stacking Type via Vibrational Spectrum
Phys. Chem. Chem. Phys., 20, 17380 (2018)
impact factor: 4.12


90-) Monitoring the Doping and Diffusion Characteristics of Mn Dopants in Cesium Lead Halide Perovskites
J. Phys. Chem. C, 122 (21), pp 11543 (2018)
impact factor: 4.54


89-) Janus single layers of In2SSe: A first-principles study
Physical Review B 97, 155410 (2018)
impact factor: 3.84


88-) Strain mapping in single-layer 2D crystals via Raman activity
Physical Review B 97, 115427 (2018)
impact factor: 3.84


87-) Single Layer ReS2H2: Stability, Raman Activity and Electronic Properties
AU Journal of Science and Technology B, 6 2 219-227(2018)
impact factor: NA


86-) CsPbBr3 perovskites: Theoretical and experimental investigation on water-assisted transition from nanowire formation to degradation
Phys. Rev. Materials 2, 034601 (2018)
impact factor: NA


85-) Tuning electronic and magnetic properties of monolayer alpha-RuCl3 by in-plane strain
J. Mater. Chem. C, 6, 2019-2025 (2018)
impact factor: 5.26


84-) Theoretical and Experimental Investigation of Conjugation of 1,6-Hexanedithiol on MoS2
Mater. Res. Express 5 036415(2018)
impact factor: 1.06


2017 (16 published)

83-) Hydrogen-induced sp2-sp3 rehybridization in epitaxial silicene
Phys. Rev. B 96, 235423 (2017)


82-) Stable Monolayer alpha-Phase of CdTe: Strain-Dependent Properties
J. Mater. Chem. C, 5, 12249-12255(2017)


81-) Thinning CsPb2Br5 perovskite down to monolayers: Cs-dependent stability
Phys. Rev. B 96, 155442 (2017)


80-) Stable Ultra-thin CdTe Crystal: A Robust Direct Gap Semiconductor
J. Phys.: Condens. Matter 29 485302 (2017)


79-) Hydrogenation-driven phase transition in single-layer TiSe2
Nanotechnology 28 495709 (2017)


78-) Experimental and Computational Investigation of Graphene/SAMs/n-Si Schottky Diodes
Applied Surface Science, 428 1010-1017 (2017)


77-) Adsorption and diffusion characteristics of lithium on hydrogenated alpha- and beta-silicene
Beilstein J. Nanotechnol, 8, 1742-1748 (2017)


76-) Nanoscale Coating Performance of Alpha-Silicene
Beilstein J. Nanotechnol, 8, 18081814 (2017)


75-) Few-layer MoS2 as nitrogen protective barrier
Nanotechnology 28 41 5706 (2017)


74-) Hydrogen-induced structural transition in single layer ReS2
2D Materials 4 3 035013 (2017)


73-) Stability, electronic and phononic properties of ? and 1T structures of SiTex (x=1,2) and their vertical heterostructures
Journal of Physics: Condensed Matter 29 39 5504 (2017)


72-) Polarization Dependent Vibrational Properties of Quasi-1D Transition Metal Trichalcogenide Nanosheets
Nanoscale 9 (12), 4175 (2017)


71-) Ultra-Thin ZnSe: Anisotropic and Flexible Crystal Structure
Applied Surface Science 409, 1 426 (2017)


70-) h-AlN-Mg(OH)2 vdW Bilayer Heterostructure: Tuning the Excitonic Characteristics
Phys. Rev. B 95, 075423 (2017)


69-) Atomic-scale Understanding of Dichlorobenzene-Assisted Poly 3-hexylthiophene-2,5-diyl Nanowire Formation Mechanism
Journal of Molecular Structure 1134, 15, 681 (2017)


68-) Fundamental Mechanisms Responsible for the Temperature Coefficient of Resonant Frequency in Microwave Dielectric Ceramics
J. Am. Ceram. Soc. 100 4 1508 (2017)


2016 (20 published)

67-) Unusual Lattice Vibration Characteristics in Pseudo-1D TiS3 Nano-whiskers
Nature Communications, 7, 12952 (2016)


66-) Mechanical properties of monolayer GaS and GaSe crystals
Phys. Rev. B 94, 245407 (2016)


65-) 2D vibrational properties of epitaxial silicene on Ag(111) probed by in situ Raman spectroscopy
2D Mater. 4, 1 015008 (2016)


64-) Nanoribbons: From Fundamentals to State-of-the-art Applications
Appl. Phys. Rev. 3, 041302 (2016)


63-) Mg(OH)2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover
Phys. Rev. B 94, 195403 (2016)


62-) Strong Dichroic Emission in Pseudo One Dimensional Material ZrS3
Nanoscale, 8, 16259 (2016).


65-) Quantum Transport Characteristics of Lateral pn-Junction of Single Layer TiS3
Chem Phys Chem accepted (2016) DOI: 10.1002/cphc.201600751


60-) Controlled Growth Mechanism of Poly (3-hexylthiophene) Nanowires
Nanotechnology 27 45 (2016)


59-) Book: Introduction to the Physics of Silicene and other 2D Materials
Springer, Vol 930 (2016)


58-) Single Layer PbI2: Hydrogenation-driven Reconstructions
RSC Advances, 6, 89708 (2016).


57-) Derivatives of Silicene: Electronic and Mechanical Properties
Advances in Materials Science Research. Volume 26, Chapter 6 (2016)


56-) Structural Changes in Schiff Base Molecular Assembly Initiated By Scanning Tunneling Microscopy Tip
Nanotechnology 27, 33 (2016)


55-) Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene
Journal of Physics: Condensed Matter, 28 (19) 195301 (2016)


54-) New family of graphene-based organic semiconductors: An investigation of photon-induced electronic structure manipulation in half-fluorinated graphene
Phys. Rev. B 93, 075439 (2016)


53-) Bilayer SnS2: Easy-tunable stacking sequence by charging and loading pressure
Phys. Rev. B 93, 125403 (2016)


52-) Unusual Dimensionality Effects and Surface Charge Density in 2D Mg(OH)2
Scientific Reports 6, 20525 (2016)


51-) Anisotropic electronic, mechanical and optical properties of monolayer WTe2
J. Appl. Phys. 119, 074307 (2016)


50-) Optical Properties of GaS-Ca(OH)2 bilayer heterostructure
Phys. Rev. B 93, 075111 (2016)


49-) Computing Optical Properties of Ultra-thin Crystals
Wiley Interdisciplinary Reviews-Computational Molecular Science, 6, 4, 351-368 (2016)


48-) Exciton Pumping across Type-I Gallium Chalcogenides Heterojunctions
Nanotechnology 27 065203 (2016)


2015 (17 published)

47-) Structural and phononic characteristics of nitrogenated holey graphene
Phys. Rev. B 92, 085421 (2015) [ PDF ]


46-) Engineering Excitonic Dynamics and Environmental Stability of Post-TMCs by Pyridine Functionalization Technique
Nanoscale, 7, 17109 (2015) [ PDF ]


45-) Tuning the magnetic anisotropy in single-layer crystal structures
Phys. Rev. B 92, 104407 (2015) [ PDF ]


44-) Electronic and magnetic properties of 1T-TiSe2 nanoribbons
IOP 2D Mater. 2 044002 (2015) [ PDF ]


43-) Mechanical Properties of Monolayer Sulphides: A Comparative Study between MoS2, HfS2 and TiS3
Phys. Chem. Chem. Phys., 17, 27742(2015) [ PDF ]


42-) Pentagonal monolayer crystals of carbon, boron nitride, and silver azide
J. Appl. Phys. 118, 104303 (2015) [ PDF ]


41-) TiS3 nanoribbons: Width independent band gap and strain-tunable electronic properties
Phys. Rev. B 92, 075413 (2015) [ PDF ]


40-) Portlandite crystal: Bulk, bilayer, and monolayer structures
Phys. Rev. B 91, 245413 (2015) [ PDF ]


39-) Vacancy Formation and Oxidation Characteristics of Single Layer TiS3
J. Phys. Chem. C, 119 (19), 10709 (2015) [ PDF ]


38-) Stable half-metallic monolayers of FeCl2
Appl. Phys. Lett. 106, 192404 (2015) [ PDF ]


37-) Tuning Carrier Confinement in MoS2/WS2 Lateral Heterostructures
J. Phys. Chem. C 119 (17), 9580 (2015) [ PDF ]


36-) Realization of PN Junction using Single Layer BP
Phys Chem Chem Phys 17, 13013 (2015) [ PDF ]


35-) Environmental Changes in MoTe2 Excitonic Dynamics by Defects Activated Molecular Interaction
ACS Nano, 9 (5), 5326 (2015) [ PDF ]


34-) Tuning the optical, magnetic, and electrical properties of ReSe2 by nanoscale strain engineering
Nano Letters, 15 (3), 1660 (2015). [ PDF ]


33-) Hexagonal AlN: Dimensional-Crossover-Driven Bandgap Transition
Phys Rev B, 91, 085430 (2015) [ PDF ]


32-) Overview on GraphAne: From Synthesis to Applications
WIRES, 5, 3, 255 (2015) [ PDF ]


31-) Structural Transitions in Monolayer MoS2 by Lithium Adsorption
J. Phys. Chem. C, 119 (19), 10602 (2015) [ PDF ]



2014 (9 published)

30-) Tuning of the electronic and optical properties of single-layer black phosphorus by strain
Phys. Rev. B 90, 205421 (2014) [ PDF ]


29-) Luminescence, Patterned Metallic Regions, and Photon-Mediated Electronic Changes in Single-Sided Fluorinated Graphene Sheets
ACS Nano, 8 (8), pp 7801 (2014) [ PDF ]


28-) Monolayers of MoS2 as an oxidation protective nanocoating material
J. Appl. Phys. 116, 083508 (2014) [ PDF ]


27-) Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene
APL Mat. 2, 092801 (2014) [ PDF ]


26-) Doping of rhenium disulfide monolayers: a systematic first principles study
Phys. Chem. Chem. Phys.,16, 16771 (2014) [ PDF ]


25-) Formation and Diffusion Characteristics of Pt Clusters on Graphene, 1H-MoS2 and 1T-TaS2
Ann. Phys. (Berlin) 526, No. 9-10, 423 (2014) [ PDF ]


24-) Formation and stability of point defects in monolayer rhenium disulfide
Phys. Rev. B 89, 155433 (2014) [ PDF ]


23-) Monolayer Behaviour in Bulk ReS2 Due to Electronic and Vibrational Decoupling
Nature Communications 5, 3252 (2014) [ PDF ]


22-) Ferromagnetism in Stacked Bilayers of Pd/C60,
Journal of Magnetism and Magnetic Materials, 349, 128 (2014) [ PDF ]


2013 (6 published)

21-) Anomalous Raman Spectra and Thickness Dependent Electronic properties of WSe2
Phys. Rev. B 87, 165409 (2013) [ PDF ]


20-) Stone-Wales defects in silicene: Formation, Stability, and Reactivity of Defect Sites
Phys. Rev. B 88, 045434 (2013) [ PDF ]


19-) First-principles investigation of B- and N-doped Fluorographene,
Phys. Rev. B 88, 035434 (2013) [ PDF ]


18-) Phonon Softening and Direct to Indirect Bandgap Crossover in Strained Single Layer MoSe2
Phys. Rev. B 87, 125415 (2013) [ PDF ]


17-) B, N, Al and P on Silicene: stability, electronic and phonon properties
Phys. Rev. B 87, 085444 (2013) [ PDF ]


16-) Adsorption of Alkali, Alkaline-earth, and 3d Transition Metal Atoms on Silicene,
Phys. Rev. B 87, 085423 (2013) [ PDF ]


2012-2007 (15 published)

15-) Chlorine adsorption on Graphene: Chlorographene
J. Phys. Chem. C, 116 (45) 24075 (2012) [ PDF ]


14-) Graphene coatings: An efficient protection from oxidation
Phys. Rev. B 85, 155445 (2012) [ PDF ]


13-) Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides
J. Phys. Chem. C, 116 (16) 8983 (2012) [ PDF ]


12-) Frictional Figures of Merit for Single Layered Nanostructures
Phys. Rev. Lett. 108, 126103 (2012) [ PDF ]


11-) Dirac Fermions on Graphene Nanomeshes
Phys. Rev. B 84, 035452 (2011) [ PDF ]


10-) Structures of Fluorinated Graphene and Their Signatures
Phys. Rev. B 83, 115432 (2011) [ PDF ]


9-) Mechanical and Electronic Properties of MoS2 Nanoribbons and Their Defects
The J. of Phys Chem C (2011) [ PDF ]


8-) Adsorption of Carbon Adatoms to Graphene and its Nanoribbons
J. Appl. Phys. 109, 013704 (2011) [ PDF ]


7-) Spintronic properties of zigzag-edged Triangular Graphene Flakes
J. Appl. Phys. 108, 074301 (2010) [ PDF ]


6-) Electronic and Magnetic Properties of Graphane Nanoribbons
Phys. Rev. B 81, 205417 (2010) [ PDF ]


5-) Magnetization of Graphane by Dehydrogenation
Appl. Phys. Lett. 95, 222510 (2009) [ PDF ]


4-) Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations
Phys. Rev. B 80, 155453 (2009) [ PDF ]


3-) Two & One-Dimensional Honeycomb Structures of Silicon and Germanium
Phys. Rev. Lett. 102, 236804 (2009) [ PDF ]


2-) First-Principles Calculations of Spin-Dependent Conductance of Graphene Flakes
Phys. Rev. B 78, 205423 (2008) [ PDF ]


1-) Temperature Dependence of Critical Currents in Two-Gap Superconductors
Eur. J. of Appl. Phys. (2007) [ PDF ]




Our Ongoing Projects are

A Novel Technique for Synthesis of Perovskites

Micro-scale SEM Image of Synthesized Perovskites

Changing the Color of Perovskite crystals by doping

We synthesize Perovskite crystals and theoretically investigate their electronic and optical properties

JANUS TYPE CRYSTAL STRUCTURES

Investigation of How Perovskite crystals are Degraded