Umesh V. Waghmare: Recent submissions

Now showing items 21-40 of 47

Extraordinary attributes of 2-dimensional MoS2 nanosheets

Rao, C. N. R.; Maitra, Urmimala; Waghmare, Umesh V. (Elsevier Science Bv, 2014)

The discovery of the amazing properties of graphene has stimulated exploration of single- and few-layer structures of layered inorganic materials. Of all the inorganic 2D nanosheet structures, those of MoS2 have attracted ...
Thermal Expansion, Anharmonicity and Temperature-Dependent Raman Spectra of Single- and Few-Layer MoSe2 and WSe2

Late, Dattatray J.; Shirodkar, Sharmila N.; Waghmare, Umesh V.; Dravid, Vinayak P.; Rao, C. N. R. (Wiley-V C H Verlag Gmbh, 2014)

We report the temperature-dependent Raman spectra of single-and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of ...
Pressure-induced structural changes and insulator-metal transition in layered bismuth triiodide, BiI3: a combined experimental and theoretical study

Devidas, T. R.; Shekar, N. V. Chandra; Sundar, C. S.; Chithaiah, P.; Sorb, Y. A.; Bhadram, V. S.; Chandrabhas, Narayana; Pal, K.; Waghmare, Umesh V.; Rao, C. N. R. (IoP Publishing Ltd, 2014)

Noting that BiI3 and the well-known topological insulator (TI) Bi2Se3 have the same high symmetry parent structures, and that it is desirable to find a wide-band gap TI, we determine here the effects of pressure on the ...
Electronic structure and properties of layered gallium telluride

Shenoy, U. Sandhya; Gupta, Uttam; Narang, Deepa S.; Late, Dattatray J.; Waghmare, Umesh V.; Rao, C. N. R. (Elsevier Science Bv, 2016)

Layer-dependent electronic structure and properties of gallium monochalcogenides, GaX where X=S, Se, Te, have been investigated using first-principles calculations based on various functionals, with a motivation to assess ...
Superior performance of borocarbonitrides, BxCyNz, as stable, low-cost metal-free electrocatalysts for the hydrogen evolution reaction

Chhetri, Manjeet; Maitra, Somak; Chakraborty, Himanshu; Waghmare, Umesh V.; Rao, C. N. R. (Royal Society of Chemistry, 2016)

We report superior hydrogen evolution activity of metal-free borocarbonitride (BCN) catalysts. The highly positive onset potential (-56 mV vs. RHE) and the current density of 10 mA cm(-2) at an overpotential of 70 mV ...
Structure and Properties of Cd4P2Cl3, an Analogue of CdS

Roy, Anand; Shenoy, U. Sandhya; Manjunath, K.; Vishnoi, Pratap; Waghmare, Umesh V.; Rao, C. N. R. (American Chemical Society, 2016)

Substitution of the sulfide ions in CdS by aliovalent P3- and Cl- ions is known to markedly affect the electronic structure and properties, reducing the band gap of the semiconductor. The decrease in band gap arises because ...
Zn2NF and Related Analogues of ZnO

Lingampalli, Srinivasa Rao; Manjunath, Krishnappa; Shenoy, Sandhya; Waghmare, Umesh V.; Rao, C. N. R. (American Chemical Society, 2016)

Substitution of aliovalent N3- and F- anions in place of O2- in ZnO brings about major changes in the electronic structure and properties, the composition, even with 10 atomic percent or less of the two anions, rendering ...
Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3 with a Semi-Empirical Effective Hamiltonian

Nishimatsu, Takeshi; Gruenebohm, Anna; Waghmare, Umesh V.; Kubo, Momoji (Physical Society Japan, 2016)

We present a semi-empirical effective Hamiltonian to capture effects of disorder associated with Ba and Sr cations occupying A sites in (BaxSr1-x)TiO3 on its ferroelectric phase transition. Averaging between the parameters ...
A first-principles study of pressure-induced phase transformation in a rare-earth formate framework

Bhat, Soumya S.; Li, Wei; Cheetham, Anthony K.; Waghmare, Umesh V.; Ramamurty, Upadrasta (Royal Society of Chemistry, 2016)

Among the panoply of exciting properties that metal-organic frameworks (MOFs) exhibit, fully reversible pressure-induced phase transformations (PIPTs) are particularly interesting as they intrinsically relate to the ...
Structural transformation during Li/Na insertion and theoretical cyclic voltammetry of the delta-NH4V4O10 electrode: a first-principles study

Sarkar, Tanmay; Kumar, Parveen; Bharadwaj, Mridula Dixit; Waghmare, Umesh V. (Royal Society of Chemistry, 2016)

A double layer delta-NH4V4O10, due to its high energy storage capacity and excellent rate capability, is a very promising cathode material for Li-ion and Na-ion batteries for large-scale renewable energy storage in ...
Two-Dimensional Rectangular and Honeycomb Lattices of NbN: Emergence of Piezoelectric and Photocatalytic Properties at Nanoscale

Anand, Shashwat; Thekkepat, Krishnamohan; Waghmare, Umesh V. (American Chemical Society, 2016)

Using first-principles calculations, we predict that monolayered honeycomb and rectangular two-dimensional (2D) lattice forms of NbN are metastable and naturally derivable from different orientations of its rocksalt ...
High-temperature large-gap quantum anomalous Hall insulating state in ultrathin double perovskite films

Baidya, Santu; Waghmare, Umesh V.; Paramekanti, Arun; Saha-Dasgupta, Tanusri (American Physical Society, 2016)

Towards the goal of realizing topological phases in thin films of correlated oxide and heterostructures, we propose here a quantum anomalous Hall insulator (QAHI) in ultrathin films of double perovskites based on mixed ...
Aliovalent cation ordering, coexisting ferroelectric structures, and electric field induced phase transformation in lead-free ferroelectric Na0.5Bi0.5TiO3

Pan, Jaysree; Niranjan, Manish K.; Waghmare, Umesh V. (American Institute Physics, 2016)

Using first-principles calculations, we show that a specific chemical ordering of Na and Bi in Na0.5Bi0.5TiO3 is responsible for the co-existence of its ferroelectric phases with rhombohedral R3c and monoclinic Cc structures, ...
Nanostructured BaTiO3/Cu2O heterojunction with improved photoelectrochemical activity for H-2 evolution: Experimental and first-principles analysis

Sharma, Dipika; Upadhyay, Surnant; Satsangi, Vibha R.; Shrivastav, Rohit; Waghmare, Umesh V.; Dass, Sahab (Elsevier Science Bv, 2016)

Nanostructured BaTiO3/Cu2O heterojunction electrodes with varying thickness of Cu2O thin films were synthesized using spray deposition of porous cuprous oxide films onto the surface of spin coated nanostructured thin films ...
NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strain

Bhattacharjee, Satadeep; Yoo, S. J.; Waghmare, Umesh V.; Lee, S. C. (Elsevier Science Bv, 2016)

Adsorption of a molecule or group with an atom which is less electronegative than oxygen (0) and directly interacting with the surface is very relevant to development of PtM (M = 3d-transition metal) catalysts with high ...
Electron-hole asymmetry in the electron-phonon coupling in top-gated phosphorene transistor

Chakraborty, Biswanath; Gupta, Satyendra Nath; Singh, Anjali; Kuiri, Manabendra; Kumar, Chandan; Muthu, D. V. S.; Das, Anindya; Waghmare, U. V.; Sood, A. K. (IoP Publishing Ltd, 2016)

Using in situ Raman scattering from phosphorene channel in an electrochemically top-gated field effect transistor, we show that phonons with A(g) symmetry depend much more strongly on concentration of electrons than that ...
Evidence of a pseudogap driven by competing orders of multi-band origin in the ferromagnetic superconductor Sr0.5Ce0.5FBiS2

Aslam, Mohammad; Paul, Arpita; Thakur, Gohil S.; Gayen, Sirshendu; Kumar, Ritesh; Singh, Avtar; Das, Shekhar; Ganguli, Ashok K.; Waghmare, Umesh V.; Sheet, Goutam (IoP Publishing Ltd, 2016)

From temperature and magnetic field dependent point-contact spectroscopy on the ferromagnetic superconductor Sr0.5Ce0.5FBiS2 (bulk superconducting T-c = 2.5 K) we observe (a) a pseudogap in the normal state that sustains ...
Pressure-induced phase transition in Bi2Se3 at 3 GPa: electronic topological transition or not?

Bera, Achintya; Pal, Koushik; Muthu, D. V. S.; Waghmare, U. V.; Sood, A. K. (IoP Publishing Ltd, 2016)

In recent years, a low pressure transition around P similar to 3 GPa exhibited by the A(2)B(3)-type 3D topological insulators is attributed to an electronic topological transition (ETT) for which there is no direct evidence ...
Structural, Optical, and Electronic Properties of Wide Bandgap Perovskites: Experimental and Theoretical Investigations

Kumawat, Naresh K.; Tripathi, Madlvendra Nath; Waghmare, Umesh V.; Kabra, Dinesh (American Chemical Society, 2016)

Wide bandgap hybrid halide perovskites based on bromine and chlorine halide anions have emerged as potential candidates for various optoelectronic devices. However, these materials are relatively less explored than the ...
Organic-inorganic hybrid PtCo nanoparticle with high electrocatalytic activity and durability for oxygen reduction

Jung, Namgee; Bhattacharjee, Satadeep; Gautam, Sanjeev; Park, Hee-Young; Ryu, Jaeyune; Chung, Young-Hoon; Lee, Sang-Young; Jang, Injoon; Jang, Jong Hyun; Park, Sae Hum; Chung, Dong Young; Sung, Yung-Eun; Chae, Keun-Hwa; Waghmare, Umesh V.; Lee, Seung-Cheol; Yoo, Sung Jong (Nature Publishing Group, 2016)

In Pt-transition metal (TM) alloy catalysts, the electron transfer from the TM to Pt is retarded owing to the inevitable oxidation of the TM surface by oxygen. In addition, acidic electrolytes such as those employed in ...

Now showing items 21-40 of 47

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