Search Results - "Goerling, A"

Gallium-rich Pd–Ga phases as supported liquid metal catalysts by Taccardi, N., Grabau, M., Debuschewitz, J., Distaso, M., Brandl, M., Hock, R., Maier, F., Papp, C., Erhard, J., Neiss, C., Peukert, W., Görling, A., Steinrück, H.-P., Wasserscheid, P.

“…A strategy to develop improved catalysts is to create systems that merge the advantages of heterogeneous and molecular catalysis. One such system involves…”
Get full text

Random-phase approximation correlation methods for molecules and solids by Hesselmann, A, Gorling, A

“…Random-phase approximation (RPA) correlation methods based on Kohn-Sham density-functional theory and Hartree-Fock are derived using the adiabatic-connection…”
Get full text

Electronic structure of main-group-element-centered octahedral gold clusters by Goerling, A, Roesch, N, Ellis, D. E, Schmidbaur, H

Get full text

Growth and electronic structure of boron-doped graphene by Gebhardt, J., Koch, R. J., Zhao, W., Höfert, O., Gotterbarm, K., Mammadov, S., Papp, C., Görling, A., Steinrück, H.-P., Seyller, Th

“…The doping of graphene to tune its electronic properties is essential for its further use in carbon-based electronics. Adapting strategies from classical…”
Get full text

Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111) by Bauer, U, Fromm, L, Weiß, C, Bachmann, P, Späth, F, Düll, F, Steinhauer, J, Hieringer, W, Görling, A, Hirsch, A, Steinrück, H.-P, Papp, C

“…We have investigated the surface chemistry of the molecular solar thermal energy storage system of the valence isomer pair norbornadiene (NBD)/quadricyclane…”
Get full text

Growth and electronic structure of nitrogen-doped graphene on Ni(111) by Koch, R. J., Weser, M., Zhao, W., Viñes, F., Gotterbarm, K., Kozlov, S. M., Höfert, O., Ostler, M., Papp, C., Gebhardt, J., Steinrück, H.-P., Görling, A., Seyller, Th

“…We report on experimental and theoretical investigations of nitrogen-doped graphene. The incorporation of nitrogen was achieved during chemical-vapor…”
Get full text

A molecular orbital study of bonding and ionization energies in pentavalent uranium imide/amide complexes by Bowmaker, G. A, Goerling, A, Haeberlen, O, Roesch, N, Goodman, G. L, Ellis, D. E

“…Discrete variational local density functional (X{alpha}) calculations on the model complexes ((RN)U(NR{sub 2}){sub 3}) (R = H (1), SiH{sub 3} (2)) have been…”
Get full text