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Adsorption of NO on...
Adsorption of NO on Fe3O4(111)
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- Busch, Michael, 1983 (författare)
- Chalmers University of Technology,Department of Physics and Competence Centre for Catalysis, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden
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- Mehar, Vikram (författare)
- University of Florida,Department of Chemical Engineering, University of Florida, Gainesville, FL 32611, USA
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- Merte, Lindsay R. (författare)
- Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Division of Synchrotron Radiation Research, Lund University, SE-22100 Lund, Sweden
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- Shipilin, Mikhail (författare)
- Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Division of Synchrotron Radiation Research, Lund University, SE-22100 Lund, Sweden
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- Lundgren, Edvin (författare)
- Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Division of Synchrotron Radiation Research, Lund University, SE-22100 Lund, Sweden
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- Weaver, Jason F. (författare)
- University of Florida,Department of Chemical Engineering, University of Florida, Gainesville, FL 32611, USA
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- Grönbeck, Henrik, 1966 (författare)
- Chalmers University of Technology
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(creator_code:org_t)
- Elsevier BV, 2018
- 2018
- Engelska.
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 693, s. 84-87
- Relaterad länk:
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https://www.osti.gov...
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http://dx.doi.org/10...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Adsorption of NO on Fe 3 O 4 (111) is studied by density functional theory (DFT) calculations. NO is preferably adsorbed atop the octahedral site which has a clearly higher adsorption energy than the tetrahedral site. The difference in adsorption energy correlates with differences in adsorption geometries and N–O stretch vibrations. The results are in good agreement with temperature programmed desorption (TPD) and reflection-adsorption IR spectroscopy (RAIRS) measurements and provide an explanation of the observation of only one vibrational mode despite two distinct TPD features.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- Surface chemistry
- Iron oxides
- NO
- TPD
- IR spectroscopy
- Heterogeneous catalysis
- DFT
- DFT
- Heterogeneous catalysis
- IR spectroscopy
- Iron oxides
- NO
- Surface chemistry
- TPD
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- art (ämneskategori)
- ref (ämneskategori)
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