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Issue DateTitleAuthor(s)
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.
2014Universal binding energy relation for cleaved and structurally relaxed surfacesSrirangarajan, Aarti; Datta, Aditi; Gandi, Appala Naidu; Ramamurty, U.; Waghmare, Umesh V.
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.
2014Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysisSingh, Anjali; Waghmare, Umesh V.
2014Adsorption and splitting of H2S on 2D-ZnO1-xNy: first-principles analysisKouser, Summayya; Waghmare, Umesh V.; Tit, Nacir
2014Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysisBhogra, Meha; Ramamurty, U.; Waghmare, Umesh V.
2014High tunability of the work function of (001) surface of ReO3 with O-vacancies: First principles analysisSuchitra; Pan, Jaysree; 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.
2014Contribution of stacking fault in lowering the theoretical density of nickelMittra, Joy; Waghmare, Umesh V.; Arya, Ashok; Dey, Gautam K.
2014First-Principles Study of Structure, Vibrational, and Elastic Properties of Stoichiometric and Calcium-Deficient HydroxyapatiteBhat, Soumya S.; Waghmare, Umesh V.; Ramamurty, Upadrasta