Chemistry Reference
In-Depth Information
. 88.. Fenter. P,. Sturchio. NC.. Mineral-water. interfacial. structures. revealed. by. synchrotron.
X-ray.scattering..
Progress in Surface Science
.2004;77(5-8):171-258.
. 89.. Trainor.TP,.Chaka.AM,.Eng.PJ,.Newville.M,.Waychunas.GA,.Catalano.JG,.Brown.GE,.
Jr.. Structure. and. reactivity. of. the. hydrated. hematite. (0001). surface..
Surface Science
.
2004;573(2):204-224.
. 90.. Tanwar. KS,. Lo. CS,. Eng. PJ,. Catalano. JG,. Walko. DA,. Brown. GE,. Waychunas. GA,.
Chaka.AM,.Trainor.TP..Surface.diffraction.study.of.the.hydrated.hematite.(1-102).sur-
face..
Surface Science
.2007;601(2):460-474.
. 91.. Tanwar.KS,.Catalano.JG,.Petitto.SC,.Ghose.SK,.Eng.PJ,.Trainor.TP..Hydrated.α-Fe
2
O
3
.
surface.structure:.Role.of.surface.preparation..
Surface Science
.2007;601(12):L59-L64.
. 92.. Catalano.JG,.Fenter.P,.Park.C..Interfacial.water.structure.on.the.(012).surface.of.hematite:.
Ordering. and. reactivity. in. comparison. with. corundum..
Geochimica et Cosmochimica
Acta
.2007;71(22):5313-5324.
. 93.. Christine.F,.Antoine.V,.Michel.P,.Samir.M..Density.functional.theory.calculations.on.
microscopic.aspects.of.oxygen.diffusion.in.ceria-based.materials..
International Journal
of Quantum Chemistry
.2005;101(6):826-839.
. 94.. Rossmeisl.J,.Bessler.WG..Trends.in.catalytic.activity.for.SOFC.anode.materials..
Solid
State Ionics
.2008;178(31-32):1694-1700.
. 95.. Galea.NM,.Kadantsev.ES,.Ziegler.T..Studying.reduction.in.solid.oxide.fuel.cell.activity.
with.density.functional.theory—Effects.of.hydrogen.sulide.adsorption.on.nickel.anode.
surface..
The Journal of Physical Chemistry C
.2007;111(39):14457-14468.
. 96.. Ingram. DB,. Linic. S.. First-principles. analysis. of. the. activity. of. transition. and. noble.
.metals. in. the. direct. utilization. of. hydrocarbon. fuels. at. solid. oxide. fuel. cell. operating.
conditions..
Journal of the Electrochemical Society
.2009;156(12):B1457-B1465.
. 97.. Yang.Z,.Woo.TK,.Baudin.M,.Hermansson.K..Atomic.and.electronic.structure.of.unre-
duced. and. reduced. CeO
2
. surfaces:.A. irst-principles. study..
The Journal of Chemical
Physics
.2004;120(16):7741-7749.
. 98.. Chen.H-T,.Choi.YM,.Liu.M,.Lin.MC..A.theoretical.study.of.surface.reduction.mecha-
nisms.of.CeO
2
.(111).and.(110).by.H
2
..
ChemPhysChem
.2007;8:849-855.
. 99.. Kumar. S,. Schelling. PK.. Density. functional. theory. study. of. water. adsorption. at.
reduced. and. stoichiometric. ceria. (111). surfaces..
The Journal of Chemical Physics
.
2006;125(20):204704-204708.
.100.. Asami.K,.Fujita.T,.Kusakabe.K-i,.Nishiyama.Y,.Ohtsuka.Y..Conversion.of.methane.with.
carbon.dioxide.into.C
2
.hydrocarbons.over.metal.oxides..
Applied Catalysis A: General
.
1995;126(2):245-255.
.101.. Beste.A,.Mullins.DR,.Overbury.SH,.Harrison.RJ..Adsorption.and.dissociation.of.metha-
nol.on.the.fully.oxidized.and.partially.reduced.(1.1.1).cerium.oxide.surface:.Dependence.
on.the.coniguration.of.the.cerium.4f.electrons..
Surface Science
.2008;602:162-175.
.102.. Tsuji. H,. Okamura-Yoshida.A,. Shishido.T,. Hattori. H.. Dynamic. behavior. of. carbonate.
species.on.metal.oxide.surface:.Oxygen.scrambling.between.adsorbed.carbon.dioxide.
and.oxide.surface..
Langmuir
.2003;19(21):8793-8800.
.103.. Yang.Z,.Woo.TK,.Hermansson.K..Strong.and.weak.adsorption.of.CO.on.CeO
2
.surfaces.
from.irst.principles.calculations..
Chemical Physics Letters
.2004;396(4-6):384-392.
.104.. Jónsson.H,.Mills.G,.Jacobsen.KW..Nudged.elastic.band.method.for.inding.minimum.
energy.paths.of.transitions..In:.Berne.BJ,.Ciccotti.G,.Coker.DF,.editors..
Classical and
Quantum Dynamics in Condensed Phase Simulations
.. Singapore:. World. Scientiic;.
1998..pp..385-404.
.105.. Hammer.B,.Hansen.LB,.Nørskov.JK..Improved.adsorption.energetics.within.density-
functional.theory.using.revised.Perdew-Burke-Ernzerhof.functionals..
Physical Review
B
.1999;59(11):7413.
.106.. Bahn. SR,. Jacobsen. KW..An. object-oriented. scripting. interface. to. a. legacy. electronic.
structure.code..
Computing in Science & Engineering
.2002;4(3):56-66.
Search WWH ::
Custom Search