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tpd-scaling.bib
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@book{Dumesic1993,
author = {Dumesic, J. A. and Rudd, D. F. and Aparicio, L. M. and Rekoske},
citeulike-article-id = {466867},
keywords = {bibtex-import},
posted-at = {2006-01-17 10:17:05},
priority = {2},
publisher = {American Chemical Society: Washington, DC},
title = {{The Microkinetics of Heterogeneous Catalysis}},
year = {1993}
}
@article{grabow2010,
year={2010},
issn={1022-5528},
journal={Topics in Catalysis},
volume={53},
number={5-6},
title={Understanding Trends in Catalytic Activity: The Effect of Adsorbate-Adsorbate Interactions for CO Oxidation Over Transition Metals},
publisher={Springer US},
keywords={Heterogeneous catalysis; Coverage effects; Adsorbate–adsorbate interactions; CO oxidation; Volcano plots},
author={Grabow, Lars C. and Hvolb\ae{}k, Britt and N{\o}rskov, Jens K.},
pages={298-310},
language={English}
}
@ARTICLE{5756277,
author = {Schulte, E. and Davison, D.},
journal = {Computing in Science Engineering},
title = {Active Documents with Org-Mode},
year = 2011,
volume = 13,
number = 3,
pages = {66 -73},
keywords = {Org-mode language;active documents;code
intermingling;data intermingling;hierarchical
documents;plain-text markup language;prose
intermingling;document handling;specification
languages;},
optdoi = {10.1109/MCSE.2011.41},
ISSN = {1521-9615},
}
@book{Dominik2010,
author = {Carsten Dominik},
title = {The Org-Mode 7 Reference Manual: Organize
Your Life with GNU Emacs},
publisher = {Network Theory},
year = 2010,
address = {UK},
optnote = {with contributions by David O'Toole, Bastien Guerry,
Philip Rooke, Dan Davison, Eric Schulte, and Thomas
Dye}
}
@article{Habenschaden1984L147,
title = "Evaluation of flash desorption spectra",
journal = "Surface Science",
volume = "138",
number = "1",
pages = "L147 - L150",
year = "1984",
note = "",
issn = "0039-6028",
optdoi = "10.1016/0039-6028(84)90488-6",
opturl =
"http://www.sciencedirect.com/science/article/pii/0039602884904886",
author = "E. Habenschaden and J. Küppers"
}
@Article{Hunter:2007,
Author = {Hunter, J. D.},
Title = {Matplotlib: A 2D graphics environment},
Journal = {Computing In Science \& Engineering},
Volume = {9},
Number = {3},
Pages = {90--95},
abstract = {Matplotlib is a 2D graphics package used for Python
for application development, interactive scripting, and
publication-quality image generation across user
interfaces and operating systems.},
publisher = {IEEE COMPUTER SOC},
year = 2007
}
@article{Parker1989489,
title = "Study of high coverages of atomic oxygen on the
Pt(111) surface",
journal = "Surface Science",
volume = "217",
number = "3",
pages = "489 - 510",
year = "1989",
note = "",
issn = "0039-6028",
optdoi = "10.1016/0039-6028(89)90443-3",
opturl =
"http://www.sciencedirect.com/science/article/pii/0039602889904433",
author = "Deborah Holmes Parker and Michael E. Bartram and
Bruce E. Koel"
}
@article{ajo2004,
author = {Henry M. Ajo and Hyeran Ihm and David E. Moilanen
and Charles T. Campbell},
title = {Calorimeter for adsorption energies of larger
molecules on single crystal surfaces},
publisher = {AIP},
year = 2004,
journal = {Review of Scientific Instruments},
volume = 75,
number = 11,
pages = {4471-4480},
keywords = {calorimeters; heat of adsorption; organic compounds;
platinum; surface chemistry; heat measurement;
molecular beams; molecule-surface impact},
opturl = {http://link.aip.org/link/?RSI/75/4471/1},
optdoi = {10.1063/1.1794391}
}
@article{allers1996,
author = {Allers, K. H. and Pfnur, H. and Feulner, P. and Menzel,D.},
title = {Angle and energy distributions of thermally
desorbing oxygen from {P}t(111): The influences of a
dynamically variable activation barrier},
journal = {{Zeitschrift fur Physikalische Chemie-International
Journal of Research in Physical Chemistry \&
Chemical Physics}},
year = {{1996}},
volume = {{197}},
number = {{Part 1-2}},
pages = {{253-268}},
keywords = {{adsorption; elementary reactions; reaction
kinetics; single crystals; thermodynamics}},
keywords-Plus ={{DISSOCIATIVE CHEMISORPTION; VELOCITY DISTRIBUTIONS;
ASSOCIATIVE DESORPTION; MOLECULAR-OXYGEN; CU(111)
SURFACE; KINETIC-ENERGY; ADSORPTION; O-2; HYDROGEN;
SI(111)-(7X7)}},
}
@article{bare1995,
author = {Bare, S.R. and Griffiths, K. and Lennard, W.N. and Tang,
HT},
title = {{Generation Of Atomic Oxygen On Ag(111) And Ag(110)
Using NO$_{2}$ - A TPD, LEED, HREELS, XPS and NRA Study}},
journal = {{Surface Science}},
year = {{1995}},
volume = {{342}},
number = {{1-3}},
pages = {{185-198}},
month = {{NOV 20}},
abstract = {{Clean atomic oxygen overlayers have been produced
on Ag(111) and Ag(110) surfaces by dosing with NO2
between 500-520 K in UHV. These were studied using
TPD, LEED, XPS, HREELS, AES and NRA. The high
coverage atomic oxygen structures, Ag(111)-(4 x 4)O
and Ag(110)-c(6 X 2)O are easily formed in UHV using
moderate dosing pressures. The spectroscopic data
indicate that these NO2-produced overlayers have the
same structure as those produced using oxygen at
high pressures. The absolute coverage of the
Ag(111)-(4 x 4)O is determined to be 7.07(+/-0.55) X
10(14) O atoms cm(-2) or 0.51 +/- 0.04 ML. This
state is characterized by a single O 1s XPS peak at
528.2 eV. The NO2-produced Ag(111)-(4 X 4)O
structure is suggested to be composed of two
parts. The outer layer of this phase is composed of
a coincidence mesh of a single layer of the (111)
plane of Ag2O, which itself is comprised of a Ag
plane sandwiched between two oxygen planes. Between
this coincidence mesh and the Ag(111) surface is a
partial monolayer of chemisorbed oxygen atoms. The
c(6 X 2)O structure is characterized by two
vibrational loss peaks at 298 and 339 cm(-1), a
single O 1s XPS peak at 528.5 eV, and a coverage of
close to 1 ML.}},
Publisher = {{ELSEVIER SCIENCE BV}},
Address = {{PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}},
Type = {{Article}},
Language = {{English}},
Affiliation = {{BARE, SR (Reprint Author), DOW CHEM CO USA,CR\&D
CATALYSIS R\&D,1776 BLDG,MIDLAND,MI 48674, USA..
UNIV WESTERN ONTARIO,DEPT PHYS,LONDON,ON N6A
5B7,CANADA. UNIV WESTERN ONTARIO,DEPT
CHEM,LONDON,ON N6A 5B7,CANADA.}},
OPTDOI = {{10.1016/0039-6028(95)00670-2}},
ISSN = {{0039-6028}},
Keywords = {{CHEMISORPTION; ELECTRON ENERGY LOSS SPECTROSCOPY;
LOW INDEX SINGLE CRYSTAL SURFACES; NITROGEN OXIDES;
NUCLEAR REACTION ANALYSIS; SILVER; SINGLE CRYSTAL
SURFACES; THERMAL DESORPTION SPECTROSCOPY}},
Keywords-Plus ={{HIGH COVERAGES; NITROGEN-DIOXIDE; METAL-SURFACES;
ADSORPTION; CHEMISORPTION; CU(110); RECONSTRUCTION;
SILVER; PRESSURE; SPECTRA}},
Research-Areas ={{Chemistry; Physics}},
Web-of-Science-Categories ={{Chemistry, Physical; Physics, Condensed
Matter}},
Number-of-Cited-References ={{36}},
Times-Cited = {{81}},
Journal-ISO = {{Surf. Sci.}},
Doc-Delivery-Number ={{TH886}},
Unique-ID = {{ISI:A1995TH88600026}},
}
@article{barteau1991,
Author = {Barteau, M.A.},
Title = {{Linear Free-energy Relationships For C1-oxygenate
Decomposition on Transition-metal Surfaces}},
Journal = {{Catalysis Letters}},
Year = {{1991}},
Volume = {{8}},
Number = {{2-4}},
Pages = {{175-184}},
Abstract = {{Linear free energy relationships for the
decomposition of formate and methoxide intermediates
on metal surfaces have been developed. These
demonstrate that Group VIII and Group IB metals do
not obey the same correlations. Implications of
these observations include the potential for
misinterpretation of classical Balandin
``volcano{''} plots.}},
Publisher = {{BALTZER SCI PUBL BV}},
Address = {{ASTERWEG 1A, 1031 HL AMSTERDAM, NETHERLANDS}},
Type = {{Article}},
Language = {{English}},
Affiliation = {{BARTEAU, MA (Reprint Author), UNIV DELAWARE,DEPT
CHEM ENGN,CTR CATALYT SCI \& TECHNOL,NEWARK,DE
19716, USA..}},
optDOI = {{10.1007/BF00764114}},
ISSN = {{1011-372X}},
Keywords = {{TRANSITION METAL CATALYSTS; FORMIC ACID; METHANOL;
LINEAR FREE ENERGY RELATIONSHIPS}},
Keywords-Plus ={{FORMIC-ACID DECOMPOSITION; C-O BOND; PD(111)
SURFACE; THERMAL-DESORPTION; REACTION-KINETICS;
AU(110) SURFACE; ATOMIC OXYGEN; METHANOL;
ADSORPTION; FORMALDEHYDE}},
Research-Areas ={{Chemistry}},
Web-of-Science-Categories ={{Chemistry, Physical}},
ResearcherID-Numbers ={{Barteau, Mark/A-4728-2008}},
Number-of-Cited-References ={{44}},
Times-Cited = {{24}},
Journal-ISO = {{Catal. Lett.}},
Doc-Delivery-Number ={{FB339}},
Unique-ID = {{ISI:A1991FB33900009}},
}
@article{bligaard2004,
Author = {Bligaard, T. and N{\o}rskov, J.K. and Dahl, S. and
Matthiesen, J. and Christensen, C.H. and Sehested, J.},
Title = {{The Br\o{}nsted-Evans-Polanyi relation and the volcano
curve in heterogeneous catalysis}},
Journal = {{Journal of Catalysis}},
Year = {{2004}},
Volume = {{224}},
Number = {{1}},
Pages = {{206-217}},
Month = {{MAY 15}},
Abstract = {{A number of elementary reactions at metal surfaces
show a linear Bronsted-Evans-Polanyi relation
between the activation energy and the reaction
energy, and reactions belonging to the same class
even follow the same relation. We investigate the
implications of this finding on the kinetics of
surface-catalyzed chemical processes. We focus in
particular on the variation in the activity from one
metal to the next. By analyzing a number of simple
microkinetic models we show that the reaction rate
under given reaction conditions shows a maximum as a
function of the dissociative adsorption energy of
the key reactant, and that for most conditions this
maximum is in the same range of reaction
energies. We also provide a database of
chemisorption energies calculated using
density-functional theory for a number of simple gas
molecules on 13 different transition metals. An
important part of the analysis consists of
developing a general framework for analyzing the
maximum rate. We use these concepts to rationalize
trends in the catalytic activity of a number of
metals for the methanation process. (C) 2004
Elsevier Inc. All rights reserved.}},
Publisher = {{ACADEMIC PRESS INC ELSEVIER SCIENCE}},
Address = {{525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}},
Type = {{Article}},
Language = {{English}},
Affiliation = {{N{\o}rskov, JK (Reprint Author), Tech Univ Denmark,
Dept Phys, Ctr Atom Scale Mat Phys, Bldg 307,
DK-2800 Lyngby, Denmark.. Tech Univ Denmark, Dept
Phys, Ctr Atom Scale Mat Phys, DK-2800 Lyngby,
Denmark. Haldor Topsoe Res Labs, DK-2800 Lyngby,
Denmark. Tech Univ Denmark, Dept Chem,
Interdisciplinary Res Ctr Catalysis, DK-2800 Lyngby,
Denmark.}},
optDOI = {{10.1016/j.jcat.2004.02.034}},
ISSN = {{0021-9517}},
Keywords = {{linear free energy relationships; microkinetic
models; density functional theory; periodic trends
in catalysis; bond energies; methanation}},
Keywords-Plus ={{COMPARING DEDONDER RELATIONS; TRANSITION-METAL
SURFACES; TOTAL-ENERGY CALCULATIONS;
RATE-DETERMINING STEP; AMMONIA-SYNTHESIS; ELECTRONIC
FACTORS; CO DISSOCIATION; GOLD; NO; MECHANISM}},
Research-Areas ={{Chemistry; Engineering}},
Web-of-Science-Categories ={{Chemistry, Physical; Engineering,
Chemical}},
Author-Email = {{[email protected]}},
ResearcherID-Numbers ={{Bligaard, Thomas/A-6161-2011 Dahl,
Soren/A-4898-2011}},
Number-of-Cited-References ={{44}},
Times-Cited = {{225}},
Journal-ISO = {{J. Catal.}},
Doc-Delivery-Number ={{817TV}},
Unique-ID = {{ISI:000221200700023}},
}
@article{campbell1985,
author = {Campbell, C. T.},
title = {Atomic and Molecular-Oxygen Adsorption on {A}g(111)},
journal = {Surface Science},
volume = 157,
number = 1,
pages = {43-60},
year = 1985
}
@article{canning1984,
author = {Canning, N. D. S. and Outka, D. and Madix, R. J.},
title = {The Adsorption of Oxygen on Gold},
journal = {Surface Science},
volume = 141,
number = 1,
pages = {240-254},
year = 1984
}
@article{conrad1974,
author = {Conrad, H. and Ertl, G. and Koch, J. and Latta,
E. E.},
title = {{Adsorption of CO on Pd Single-Crystal Surfaces}},
journal = {Surface Science},
volume = 43,
number = 2,
pages = {462-480},
year = 1974
}
@article{conrad1974:h,
author = {Conrad, H. and Ertl, G. and Latta, E. E.},
title = {Adsorption of Hydrogen on Palladium Single-Crystal
Surfaces},
journal = {Surface Science},
volume = 41,
number = 2,
pages = {435-446},
year = 1974
}
@article{conrad1977,
author = {Conrad, H. and Ertl, G. and Kuppers, J. and Latta,
E. E.},
title = {{Interaction of NO and O$_2$ with Pd(111) Surfaces Part
One.}},
journal = {Surface Science},
volume = 65,
number = 1,
pages = {235-244},
year = 1977
}
@article{cornish1990,
author = {Cornish, J. C. L. and Avery, N. R.},
title = {{Adsorption of N$_2$, O$_2$, N$_2$O and NO on Ir(111) by EELS
and TPD}},
journal = {Surface Science},
volume = 235,
number = {2-3},
pages = {209-216},
year = 1990
}
@article{dejong1990,
author = {Dejong, A. M. and Niemantsverdriet, J. W.},
title = {Thermal-Desorption Analysis - Comparative Test of 10
Commonly Applied Procedures},
journal = {Surface Science},
volume = 233,
number = 3,
pages = {355-365},
year = 1990
}
@article{devarajan2008,
author = {Devarajan, S. P. and Hinojosa, J. A. and Weaver,
J. F.},
title = {{STM study of high-coverage structures of atomic
oxygen on Pt(111): p(2 $\times$ 1) and Pt oxide chain
structures}},
journal = {Surface Science},
volume = 602,
number = 19,
pages = {3116-3124},
keywords = {scanning tunneling microscopy oxidation platinum
oxygen no2 low-index single crystal surfaces
superlattice surface stress molecular-beam
adsorption surface oxidation identification
desorption au(111) decomposition spectroscopy
catalyst},
year = 2008
}
@article{doi:10.1021/cr9700890,
author = {Brown, W. A. and Kose, R. and King, D. A.},
title = {Femtomole Adsorption Calorimetry on Single-Crystal
Surfaces},
journal = {Chemical Reviews},
volume = 98,
number = 2,
pages = {797-832},
year = 1998,
optdoi = {10.1021/cr9700890},
optURL = {http://pubs.acs.org/doi/abs/10.1021/cr9700890},
eprint = {http://pubs.acs.org/doi/pdf/10.1021/cr9700890}
}
@article{doi:10.1021/jp3066794,
author = {Karp, Eric M. and Campbell, Charles T. and Studt,
Felix and Abild-Pedersen, Frank and N{\o}rskov, Jens
K.},
title = {Energetics of Oxygen Adatoms, Hydroxyl Species and
Water Dissociation on Pt(111)},
journal = {The Journal of Physical Chemistry C},
volume = 116,
number = 49,
pages = {25772-25776},
year = 2012,
doi = {10.1021/jp3066794},
URL = {http://pubs.acs.org/doi/abs/10.1021/jp3066794},
eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp3066794}
}
@Misc{emacs24,
title = {{GNU} {E}macs},
url = {http://www.gnu.org/software/emacs/}
}
@article{fischerwolfarth2011,
author = {Fischer-Wolfarth, J-H. and Hartmann, J. and Farmer,
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