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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.
2016Electrochemical Dealloying of PdCu3 Nanoparticles to Achieve Pt-like Activity for the Hydrogen Evolution ReactionJana, Rajkumar; Bhim, Anupam; Bothra, Pallavi; Pati, Swapan Kumar; Peter, Sebastian C.
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
2014First-Principles Study of Structure, Vibrational, and Elastic Properties of Stoichiometric and Calcium-Deficient HydroxyapatiteBhat, Soumya S.; Waghmare, Umesh V.; Ramamurty, Upadrasta
2014Improved catalytic activity of rhodium monolayer modified nickel (110) surface for the methane dehydrogenation reaction: a first-principles studyBothra, Pallavi; Pati, Swapan Kumar
2016Nanostructured BaTiO3/Cu2O heterojunction with improved photoelectrochemical activity for H-2 evolution: Experimental and first-principles analysisSharma, Dipika; Upadhyay, Surnant; Satsangi, Vibha R.; Shrivastav, Rohit; Waghmare, Umesh V.; Dass, Sahab
2016The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic RattlingJana, Manoj K.; Pal, Koushik; Waghmare, Umesh V.; Biswas, Kanishka
2016NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strainBhattacharjee, Satadeep; Yoo, S. J.; Waghmare, Umesh V.; Lee, S. C.
20162D coordination polymer composed of 1D {Ni-II(mu-O)(mu-H2O)Ni-II}(n) ferromagnetic chains: Modulation of magnetic properties based on dehydration and rehydrationAdalikwu, Stephen Adie; Chakraborty, Anindita; Hazra, Arpan; Ghosh, Dibyajyoti; Pati, Swapan Kumar; Maji, Tapas Kumar