Browsing by Author Waghmare, Umesh V.

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Issue DateTitleAuthor(s)
2016Accurate first-principles structures and energies of diversely bonded systems from an efficient density functionalSun, Jianwei; Remsing, Richard C.; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh V.; Wu, Xifan; Klein, Michael L.; Perdew, John P.
2014Adsorption and splitting of H2S on 2D-ZnO1-xNy: first-principles analysisKouser, Summayya; Waghmare, Umesh V.; Tit, Nacir
2016Aliovalent cation ordering, coexisting ferroelectric structures, and electric field induced phase transformation in lead-free ferroelectric Na0.5Bi0.5TiO3Pan, Jaysree; Niranjan, Manish K.; Waghmare, Umesh V.
2014Anomalies and synergy in the caloric effects of magnetoelectricsAnand, Shashwat; Waghmare, Umesh V.
2014Characterization of few-layer 1T-MoSe2 and its superior performance in the visible-light induced hydrogen evolution reactionGupta, Uttam; Naidu, B. S.; Maitra, Urmimala; Singh, Anjali; Shirodkar, Sharmila N.; Waghmare, Umesh V.; Rao, C. N. R.
2014Competing Cation-Anion Interactions and Noncentrosymmetry in Metal Oxide-Fluorides: A First-Principles Theoretical StudyMishra, Abhishek Kumar; Marvel, Michael R.; Poeppelmeier, Kenneth R.; Waghmare, Umesh V.
2014Composition-dependent photoluminescence and electronic structure of 2-dimensional borocarbonitrides, BCXN (x=1, 5)Moses, Kota; Shirodkar, Sharmila N.; Waghmare, Umesh V.; Rao, C. N. R.
2014Contribution of stacking fault in lowering the theoretical density of nickelMittra, Joy; Waghmare, Umesh V.; Arya, Ashok; Dey, Gautam K.
2016Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic HybridsRoy, Soumyabrata; Sarkar, Sumanta; Pan, Jaysree; Waghmare, Umesh V.; Dhanya, R.; Narayana, Chandrabhas; Peter, Sebastian C.
2016Effect of potassium doping on electronic structure and thermoelectric properties of topological crystalline insulatorRoychowdhury, Subhajit; Shenoy, U. Sandhya; Waghmare, Umesh V.; Biswas, Kanishka
2019Effect of pressure on electronic structure and transport of chalcogenides (ZrSiS and PbTe)Waghmare, Umesh V.; Chaturvedi, Shashank
2016Electronic structure and properties of layered gallium tellurideShenoy, U. Sandhya; Gupta, Uttam; Narang, Deepa S.; Late, Dattatray J.; Waghmare, Umesh V.; Rao, C. N. R.
2014Emergence of Ferroelectricity at a Metal-Semiconductor Transition in a 1T Monolayer of MoS2Shirodkar, Sharmila N.; Waghmare, Umesh V.
2016Evidence of a pseudogap driven by competing orders of multi-band origin in the ferromagnetic superconductor Sr0.5Ce0.5FBiS2Aslam, Mohammad; Paul, Arpita; Thakur, Gohil S.; Gayen, Sirshendu; Kumar, Ritesh; Singh, Avtar; Das, Shekhar; Ganguli, Ashok K.; Waghmare, Umesh V.; Sheet, Goutam
2014Evidence of scaling in the high pressure phonon dispersion relations of some elemental solidsSrivastava, Divya; Waghmare, Umesh V.; Sarkar, Subir K.
2014Experimental and first-principles theoretical studies on Ag-doped cuprous oxide as photocathode in photoelectrochemical splitting of waterUpadhyay, Sumant; Sharma, Dipika; Singh, Nirupama; Satsangi, Vibha R.; Shrivastav, Rohit; Waghmare, Umesh V.; Dass, Sahab
2014Extraordinary attributes of 2-dimensional MoS2 nanosheetsRao, C. N. R.; Maitra, Urmimala; Waghmare, Umesh V.
2014First principles analysis of graphene and its ability to maintain long-ranged interaction with H2SHegde, Vinay I.; Shirodkar, Sharmila N.; Tit, Nacir; Waghmare, Umesh V.; Yamani, Zain H.
2018First-principles analysis of catalysis for hydrogen evolution reactionWaghmare, Umesh V.; Dheer, Lakshay
2014First-principles studies of surfaces of a metallic oxide : ReO3Waghmare, Umesh V.; Suchitra