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Issue DateTitleAuthor(s)
2014Transition Metal Embedded Two-Dimensional C3N4-Graphene Nanocomposite: A Multifunctional MaterialGhosh, Dibyajyoti; Periyasamy, Ganga; Pati, Swapan Kumar
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.
2014Criticality of surface topology for charge-carrier transport characteristics in two-dimensional borocarbonitrides: design principles for an efficient electronic materialBanerjee, Swastika; Pati, Swapan Kumar
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.
2014Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheetsGhosh, Dibyajyoti; Periyasamy, Ganga; Pandey, Bradraj; Pati, Swapan Kumar
2014First-Principles Study of Structure, Vibrational, and Elastic Properties of Stoichiometric and Calcium-Deficient HydroxyapatiteBhat, Soumya S.; Waghmare, Umesh V.; Ramamurty, Upadrasta
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.
2014Insertion of Line Defect in Nanoribbons of Graphene, Boron Nitride, and Hybrid of Them: An AIMD StudyGhosh, Dibyajyoti; Parida, Prakash; Pati, Swapan Kumar
2014Anomalies and synergy in the caloric effects of magnetoelectricsAnand, Shashwat; Waghmare, Umesh V.