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Issue DateTitleAuthor(s)
2014Universal binding energy relation for cleaved and structurally relaxed surfacesSrirangarajan, Aarti; Datta, Aditi; Gandi, Appala Naidu; Ramamurty, U.; Waghmare, Umesh V.
2014Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysisBhogra, Meha; Ramamurty, U.; Waghmare, Umesh V.
2014A stable, quasi-2D modification of silver: optical, electronic, vibrational and mechanical properties, and first principles calculationsChakraborty, Indrani; Shirodkar, Sharmila N.; Gohil, Smita; Waghmare, Umesh V.; Ayyub, Pushan
2014Tuning electrochemical potential of LiCoO2 with cation substitution: first-principles predictions and electronic originVaranasi, Arun Kumar; Bhowmik, Arghya; Sarkar, Tanmay; Waghmare, Umesh V.; Bharadwaj, Mridula Dixit
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.
2014Pressure-induced structural changes and insulator-metal transition in layered bismuth triiodide, BiI3: a combined experimental and theoretical studyDevidas, 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.
2014The nature of the structural phase transition from the hexagonal (4H) phase to the cubic (3C) phase of silverChakraborty, Indrani; Shirodkar, Sharmila N.; Gohil, Smita; Waghmare, Umesh V.; Ayyub, Pushan