Publications till date


A full publications list is also available at Google Scholar.



[2017]


  1. J. Yuwono, N. Birbilis, R. Liu, Q. Ou, Q. Bao and N.. V. Medhekar

   Aqueous electrochemical activity of the Mg surface: the role of group 14 and 15 elements

   The Journal of Electrochemical Society 164, C918 (2017).


  1. A. Sharma, A. Malani, N. V. Medhekar and R. Babarao

   CO2 adsorption and separation covalent organic frameworks with interlayer slipping

   CrystEngComm (2017), in press, DOI: 10.1039/C7CE01647F.


  1. Y. Chen, Z. Zhang, N. V. Medhekar and L. Bourgeois

   Vacancy-tuned precipitation pathways in AlCu1.7In0.25Sb0.25 (at%) alloy

   Acta Materialia 141, 341 (2017).


  1. A. Kant, T. Bhandakkar and N. V. Medhekar

   Stress enhanced calcium kinetics in a neuron

   Biomechanics and Modeling in Mechanobiology 17, 1 (2017).


  1. Y. Yin, J. Cervenka and N. V. Medhekar

   Molecular dipole driven electronic structure modifications of DNA/RNA nucleobases on

   graphene

   Journal of Physical Chemistry Letters 8, 3087 (2017).


  1. J. Deng, Y. Yin, H. Niu, X. Ding, J. Sun and N. V. Medhekar

   The edge stresses and phase transitions for magnetic BN zigzag nanoribbons

   Scientific Reports 7, 7855 (2017).


  1. Z. Zhang, J. Rosalie, J. Bourgeois and N. V. Medhekar 

   The bilayered precipitate phase ζ in the Al-Ag alloy system

   Acta Materialia 132, 525 (2017).


  1. N. Alaal, V. Loganathan, N. V. Medhekar and A. Shukla

   From half-metal to semiconductor: electron correlation effects in zigzag SiC nanoribbons from

   first principles

   Physical Review Applied 7, 064009 (2017).


  1. Y. Chen, Z. Zhang, Z. Chen, A. Tsalanidis, M. Weyland, S. Findlay, L. Allen, J. Li,

   N. V. Medhekar and L. Bourgeois

   The enhanced theta-prime precipitation in an Al-Cu alloy with trace Au additions 

   Acta Materialia 125, 340 (2017).



[2016]


  1. J. Yuwono, N. Birbilis, K. Williams and N. V. Medhekar

   Electrochemical stability of magnesium surfaces in an aqueous environment

   Journal of Physical Chemistry C 120, 26922 (2016).


  1. R. Huang, M. Hill, R. Babarao and N. V. Medhekar

   CO2 Adsorption in Azobenzene Functionalized Stimuli Responsive Metal–Organic Frameworks

   Journal of Physical Chemistry C 120, 16658 (2016).


  1. B. Ananthoju, J. Mohapatra, M. K. Jangid, D. Bahadur, N V. Medhekar and A. Aslam

   Cation/anion substitution in Cu2ZnSnS4 for improved photovoltaic performance

  Scientific Reports 6, 35369 (2016).

  

  1. Z. Zhang, T. Liu, A. E. Smith, N. V. Medhekar, P. Nakashima and L. Bourgeois

   Mechanisms of void shrinkage in aluminium

   Journal of Applied Crystallography 49, 1459 (2016).


  1. P. White, S. Barter and N. V. Medhekar

   Hydrogen induced amorphisation around nanocracks in aluminium

   Engineering Fracture Mechanics 161, 40 (2016).


  1. L. Bourgeois, Z. Zhang, J. Li and N. V. Medhekar

   The bulk and interfacial structures of the η(Al2Au) precipitate phase  

   Acta Materialia 105, 284 (2016).


  1. J. van Embden, L. Bourgeois, E. Della Gaspera, L. Waddington, Y. Yin, N. V. Medhekar, J.  

   Jasieniak and A. Chesman

   The formation mechanism of Janus nanostructures in one-pot reactions: the case of Ag-

   Ag8GeS6

   Journal of Materials Chemistry A 4, 7060 (2016).

  1. N. Alaal, V. Loganathan, N. V. Medhekar and A. Shukla

   First principles many-body calculations of electronic structure and optical properties of

   armchair SiC nanoribbons

   Journal of Physics D: Applied Physics 49, 105306 (2016).



[2015]


  1. Y. Yin, J. Cervenka and N. V. Medhekar

   Tunable hybridization between electronic states of graphene and physisorbed hexacene

   Journal of Physical Chemistry C 119, 19526 (2015).


  1. M. Mortazavi, Q. Ye, N. Birbilis and N. V. Medhekar

    High capacity group-15 alloy anodes for Na-ion batteries: electrochemical and mechanical

    insights

    Journal of Power Sources 285, 29 (2015).


  1. Y. M. Zhu, M. Weyland, N. V. Medhekar, C. Dwyer, C. L. Mendis, K. Hono and J. F. Nie

    On the prismatic precipitate plates in Mg–Ca–In alloys

    Scripta Materialia 101, 16 (2015).


  1. A. Ahmed, R. Babarao, R. Huang, N. V. Medhekar, B. D. Todd, M. R. Hill and A. W. Thornton

    Porous aromatic frameworks impregnated with lithiated fullerenes for natural gas purification

    Journal of Physical Chemistry C 119, 9347 (2015).


  1. Y. Wang, J. Z. Ou, A. Chrimes, B. Carey, T. Daeneke, M.M.Y.A. Alsaif, M. Mortazavi, S.

    Zhuiykov, N. V. Medhekar, M. Bhaskaran, J. Friend, M. Strano and K. Kalantar-Zadeh

    Plasmon resonances of highly doped two-dimensional MoS2

    Nano Letters 15, 883 (2015).


  1.   J. Cervenka, A. Budi, Ni. Dontschuk, A. Stacey, A. Tadich, K. Rietwyk, A. Schenk, 

    M.Edmonds, Y. Yin, N. V. Medhekar, M. Kalbac and CI Pakes

   Graphene field effect transistor as a probe of electronic structure and charge transfer at

    organic molecule-graphene interfaces

    Nanoscale 7, 1471 (2015).


  1. S. Thomas, N. V. Medhekar, G. S. Frankel and N. Birbilis

    Corrosion mechanism and hydrogen evolution on Mg

    Current Opinion in Solid State and Materials Science 19, 85 (2015).



[2014]


  1.   M. Mortazavi, C. Wang, J. Deng, V. B. Shenoy and N. V. Medhekar

    Ab Initio characterization of sodium intercalation in layered MoS2 for Na-ion batteries

    Journal of Power Sources 268, 279 (2014).


  1.   B. Ananthoju, F. Sonia, A. Kushawaha, D. Bahadur, N. V. Medhekar and M. Aslam

    Improved structural and optical properties of Cu2ZnSnS4 thin films

    Electrochimica Acta 137, 154 (2014).    


  1.   M. M. Y. A. Alsaif, K. Latham, M. R. Field, D. D. Yao, N V. Medhekar, G. A. Beane, R. B. 

    Kaner, S. P. Russo, J. Z. Ou, K. Kalantar-Zadeh

    Tunable plasmon resonances in two-dimensional molybdenum oxide nanoflakes

     Advanced Materials 26, 3931 (2014).




[2013]


  1.   R. Babarao, Y. Jiang and N. V. Medhekar

     Post-combustion CO2 capture in functionalized porous coordination networks

     Journal of Physical Chemistry C 117, 26976 (2013).


  1.   J. Song, B. Ouyang and N. V. Medhekar

     Energetics and kinetics of Li intercalation in irradiated hybridized graphene scaffolds

    ACS Applied Materials and Interfaces 5, 12968 (2013).


  1.   Y. Wang, J. Z. Ou, S. Balendhran, A. Chrimes, M. Mortazavi, M. R. Field, K. Latham, V.  

     Bansal, J. Friend, S. Zhuiykov, N. V. Medhekar, M. S. Strano & K. Kalantar-zadeh

     Electrochemical control of photoluminescence in two-dimensional MoS2 nanoflakes

     ACS Nano 7, 10083 (2013).


  1. J. Song and N. V. Medhekar

    Thermal transport in lattice-constrained 2D hybrid graphene heterostructures

    Journal of Physics: Condensed Matter 45, 445007 (2013).


  1. J. Deng, J. Z. Liu and N. V. Medhekar

     Enhanced lithium adsorption and diffusion on silicene nanoribbons

     RSC Advances 3, 20338 (2013).

 

  1.   L. Bourgeois, N. V. Medhekar, A. E. Smith, M. Weyland, J.-F. Nie and C. Dwyer

    Efficient atomic-scale kinetics through a complex heterophase interface

    Physical Review Letters 111, 046102 (2013).


  1.   J. Li, N. V. Medhekar and V. B. Shenoy

    Bonding charge density and ultimate strength of monolayer transition metal dichalcogenides

    Journal of Physical Chemistry C 117, 15842 (2013).


  1.   M. Mortazavi, J. Deng. V. B. Shenoy and N. V. Medhekar

    Elastic softening of alloy negative electrodes for Na-ion batteries

    Journal of Power Sources  225, 207 (2013).

 

  1. S. Balendhran, J. Deng, J. Z. Ou, J. Scott, J. Tang, K. L. Wang, S. Russo, S. Zhuiykov, M. S. 

    Strano, N. V. Medhekar, S. Sriram, M. Bhaskaran and K. Kalantar-Zadeh

    Enhanced charge carrier mobility in two-dimensional high dielectric molybdenum oxide

    Advanced Materials 25, 109 (2013).

    [Media coverage]




[2012]


  1. J. Deng, M. Mortazavi, N. V. Medhekar and J. Z. Liu

    Band engineering of Ni1-xMgxO alloys for photocathodes of high efficiency dye-sensitized solar

    cells

    Journal of Applied Physics 112, 123703 (2012).


  1. J. Shang, G. Li, R. Singh, Q. Gu, K. M. Nairn, T. J. Bastow, N. V. Medhekar, C. M. Doherty,

    A. J. Hill, J. Z. Liu and P. A. Webley

    Discriminative separation of gases by a “molecular trapdoor” mechanism in chabazite zeolites

    Journal of the American Chemical Society 134, 19246 (2012).

    [Media coverage]


  1. J. Deng, I. Fampiou, J. Z. Liu, A. Ramasubramaniam and N. V. Medhekar

    Edge stresses of non-stochiometric edges in two-dimensional crystals

    Applied Physics Letters 100, 251906 (2012).


  1. S. Chen, N. V. Medhekar, J. Garitaonandia and K. Suzuki

    Surface charge transfer induced ferromagnetism in nanostructured ZnO/Al

    Journal of Physical Chemistry C 116, 8541 (2012).


  1. N. Kirkland, T. Schiller, N. V. Medhekar and N. Birbilis

    Exploring graphene as a corrosion protection barrier

    Corrosion Science 56, 1 (2012).


  1. S. Sriram, M. Bhaskaran, S. Chen, S. Jayawardhana, P. Stoddart, J. Z. Liu, N. V. Medhekar,

    K. Kalantar-Zadeh and A. Mitchell

    Influence of electric field on SERS: frequency effects, intensity changes and

    susceptible bonds

    Journal of the American Chemical Society, 134 (10), 4646 (2012).




[Prior 2011]


  1. N. V. Medhekar, A. Ramasubramaniam, R. S. Ruoff and V. B. Shenoy

    Hydrogen bond networks in graphene oxide composites: structure and mechanical

    properties

    ACS Nano 4, 2300 (2010).


  1. A. Bagri, R. Grantab, N. V. Medhekar and V. B. Shenoy

    Stability and formation mechanisms of carbonyl- and hydroxyl- decorated holes in

    graphene oxide

    Journal of Physical Chemistry C 114, 12053 (2010).


  1. M. Z. Hossain, N. V. Medhekar, V. B. Shenoy and H. T. Johnson

    Enhanced quantum confinement due to nonuniform composition in alloy quantum dots

    Nanotechnology 21, 095401 (2010).


  1. J. B. Hannon, R. M. Tromp, N. V. Medhekar and V. B. Shenoy

    Spontaneous formation and growth of a new polytype on SiC(0001)

    Physical Review Letters 103, 256101 (2009).


  1. N. V. Medhekar, V. Hegadekatte and V. B. Shenoy

    Composition maps in coherent and dislocated alloy nanocrystals

    Solid State Communications 149, 1395 (2009).


  1. A. Ramasubramaniam, N. V. Medhekar and V. B. Shenoy

    Substrate-induced magnetism in epitaxial graphene buffer layers

    Nanotechnology 20, 275705 (2009).


  1. N. V. Medhekar, V. B. Shenoy, W. L. Chan and E. Chason

    Stress-enhanced pattern formation on surfaces during low-energy ion bombardment

    Journal of Physics: Condensed Matter 21, 224021 (2009).


  1. N. V. Medhekar, V. Hegadekatte and V. B. Shenoy

    Composition maps in self-assembled alloy quantum dots

    Physical Review Letters 100, 106104 (2008).

    Featured in March 24, 2008 issue of the Virtual Journal of  Nanoscale Science and

    Technology.


  1. H. Ramanarayan, N. V. Medhekar and V. B. Shenoy

    Microstructural evolution of strained heteroepitaxial multilayers

    Applied Physics Letters 92, 173107 (2008).


  1. N. V. Medhekar and V. B. Shenoy

    Shape dynamics in anisotropically strained 2D self-assembling systems

    Journal of Applied Physics 103, 063523 (2008).                                            

    Featured in April 14, 2008 issue of the Virtual Journal of Nanoscale Science and

    Technology.


  1. N. V. Medhekar, V. B. Shenoy, J. B. Hannon and R. M. Tromp

    Self-assembling surface stress domains far from equilibrium

    Applied Physics Letters 91, 253101 (2007).

    Featured in January 7, 2008 issue of the Virtual Journal of Nanoscale Science and

    Technology.


  1. N. V. Medhekar, V. B. Shenoy, J. B. Hannon and R. M. Tromp

    Metastability in 2D self-assembling systems

    Physical Review Letters 99, 156102 (2007).

    Featured in October 29, 2007 issue of the Virtual Journal of Nanoscale Science and

    Technology.


  1. N. V. Medhekar and S. K. Maiti

    Derivative procedure for BEM based computation of change in natural frequency

    International Journal of Fracture 118(3), L51 (2002).


Computational Materials Lab


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