Showing 1–15 of 15 results
/ Date/ Name
Aug 28, 2017Machine learning the band gap properties of kesterite I$_2$-II-IV-V$_4$ quaternary compounds for photovoltaics applicationsJul 30, 1996Structure and stability of a high-coverage (1x1) oxygen phase on Ru(0001)Nov 27, 1996Study of CO Oxidation over Ru(0001) at High Gas PressuresNov 27, 1996Mechanism of efficient carbon monoxide oxidation at Ru(0001)Aug 15, 1999Towards a first-principles theory of surface thermodynamics and kineticsMay 21, 2021Band-gap engineering, magnetic behavior and Dirac-semimetal character in the MoSi2N4 nanoribbon with armchair and zigzag edgesJan 20, 1995Theory of alkali metal adsorption on close-packed metal surfacesAug 3, 1998Theoretical analysis of the electronic structure of the stable and metastable c(2x2) phases of Na on Al(001): Comparison with angle-resolved ultra-violet photoemission spectraFeb 4, 1997Anomalous Behavior of Ru for Catalytic Oxidation: A Theoretical Study of the Catalytic Reaction CO + 1/2 O_2 --> CO_2May 24, 1999Density-functional theory study of the catalytic oxidation of CO over transition metal surfacesMar 19, 2017Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbonFeb 20, 2001Surface Core Level Shifts of Clean and Oxygen Covered Ru(0001)Nov 13, 2000Theory of Adsorption on Metal SubstratesOct 18, 2004Half-metallicity and efficient spin injection in AlN/GaN:Cr (0001) heterostructureAug 24, 1998Coadsorption of CO and O on Ru(0001): A structural analysis by density functional theory