Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Joanna N. James"'
Publikováno v:
Surface Science. 602:2478-2485
Density functional theory calculations have been used to study the adsorption of methylamine and methanol on the hydroxylated (0 0 0 1) surface of α-quartz. The surface structure for these calculations was based on the structure reported recently by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::813855c8f7036280137b914c274005a5
https://doi.org/10.1016/j.susc.2008.05.030
https://doi.org/10.1016/j.susc.2008.05.030
Autor:
Carol J. Hirschmugl, Luke Burkholder, David S. Sholl, Feng Gao, Joanna N. James, Wilfred T. Tysoe, H. C. Poon, Dilano K. Saldin, Yilin Wang
Publikováno v:
Surface Science. 602:2264-2270
The structure, formation and decomposition pathways of 2-butoxide species formed on a Pd(1 1 1) surface following the adsorption of 2-butanol is studied by a combination of density functional theory (DFT), analysis of the low-energy electron intensit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c46feea63a79b5784eada65a446f18c6
https://doi.org/10.1016/j.susc.2008.05.008
https://doi.org/10.1016/j.susc.2008.05.008
Autor:
Francisco Zaera, Larry Mink, Ryan A. Olsen, Leonard J. Mueller, Joanna N. James, David S. Sholl, Zhen Ma
Publikováno v:
Topics in Catalysis. 48:120-127
The physico-chemical properties of cinchona alkaloids have been characterized in connection to their use for catalytic enantioselective conversions. Adding to the previous identification of their active site at the nitrogen atom in the quinuclidine r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a5d0e8d4c27edb5580e5a251449776a
https://doi.org/10.1007/s11244-008-9041-z
https://doi.org/10.1007/s11244-008-9041-z
Autor:
Joanna N. James, David S. Sholl
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 281:44-48
Chiral modification of achiral metal catalysts with chiral auxiliary molecules is a promising method of creating chiral surfaces for heterogeneous catalysis. The ability of a chiral template overlayer to affect the adsorption enantioselectivity of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37a1b564e679b87e8c62232025f5bcd9
https://doi.org/10.1016/j.molcata.2007.06.014
https://doi.org/10.1016/j.molcata.2007.06.014
Autor:
David S. Sholl, Joanna N. James
Publikováno v:
Current Opinion in Colloid & Interface Science. 13:60-64
Many phenomena can occur when chiral molecules adsorb on solids. Density Functional Theory calculations have provided information that strongly complements experimental studies. Advances have been made in two related avenues for creating surface chir
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ca9c326a24c8b4df98e268c978e76a2
https://doi.org/10.1016/j.cocis.2007.08.012
https://doi.org/10.1016/j.cocis.2007.08.012
Publikováno v:
Catalysis Today. 105:74-77
Acetate adsorbs on Pd(1 1 1) as a disordered overlayer. We have used a recently developed LEED I–V technique that allows the structure of disordered molecular overlayers to be examined to determine the structure of acetate adsorbed on Pd(1 1 1). Ou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e26ae8e75ab7bb60f63dde5ab76a0f1
https://doi.org/10.1016/j.cattod.2005.04.009
https://doi.org/10.1016/j.cattod.2005.04.009
Autor:
Joanna N. James, T. Zheng, Wilfred T. Tysoe, Dilano K. Saldin, Dario Stacchiola, David S. Sholl
Publikováno v:
Surface Science. 574:166-174
The structure of formate species adsorbed on Pd(1 1 1) has been determined using low-energy electron diffraction (LEED). The presence of formate species on the Pd(1 1 1) surface was established using reflection-absorption infrared spectroscopy (RAIRS
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ddff7777727c640ea0986d5978c5b00
https://doi.org/10.1016/j.susc.2004.10.027
https://doi.org/10.1016/j.susc.2004.10.027
Publikováno v:
The Journal of Chemical Physics. 135:034703
Experimental studies have reported that glycine is adsorbed on the Cu(110) and Cu(100) surfaces in its deprotonated form at room temperature, but in its zwitterionic form on Pd(111) and Pt(111). In contrast, recent density functional theory (DFT) cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a06a6237fd35108c68ef0cccc7148818
https://doi.org/10.1063/1.3610420
https://doi.org/10.1063/1.3610420