|
|
|
|
| LEADER |
01000naa a22002652 4500 |
| 001 |
NLM21589720X |
| 003 |
DE-627 |
| 005 |
20231224030511.0 |
| 007 |
cr uuu---uuuuu |
| 008 |
231224s2012 xx |||||o 00| ||eng c |
| 024 |
7 |
|
|a 10.1021/la300129z
|2 doi
|
| 028 |
5 |
2 |
|a pubmed24n0719.xml
|
| 035 |
|
|
|a (DE-627)NLM21589720X
|
| 035 |
|
|
|a (NLM)22385258
|
| 040 |
|
|
|a DE-627
|b ger
|c DE-627
|e rakwb
|
| 041 |
|
|
|a eng
|
| 100 |
1 |
|
|a Lee, Kyungtae
|e verfasserin
|4 aut
|
| 245 |
1 |
0 |
|a Ab initio thermodynamics examination of sulfur species present on Rh, Ni, and binary Rh-Ni surfaces under steam reforming reaction conditions
|
| 264 |
|
1 |
|c 2012
|
| 336 |
|
|
|a Text
|b txt
|2 rdacontent
|
| 337 |
|
|
|a ƒaComputermedien
|b c
|2 rdamedia
|
| 338 |
|
|
|a ƒa Online-Ressource
|b cr
|2 rdacarrier
|
| 500 |
|
|
|a Date Completed 07.08.2012
|
| 500 |
|
|
|a Date Revised 03.04.2012
|
| 500 |
|
|
|a published: Print-Electronic
|
| 500 |
|
|
|a Citation Status PubMed-not-MEDLINE
|
| 520 |
|
|
|a The stable form of adsorbed sulfur species and their coverage were investigated on Rh, Ni, and Rh-Ni binary metal surfaces using density functional theory calculations and the ab initio thermodynamics framework. S adsorption, SO(x) (x = 1-4) adsorption, and metal sulfide formation were examined on Rh(111) and Ni(111) pure metals. Both Rh and Ni metals showed a preference for S surface adsorption rather than SO(x) adsorption under steam reforming conditions. The transition temperature from a clean surface (<(1)/(9) ML) to S adsorption was identified on Rh(111), Ni(111), Rh(1)Ni(2)(111), and Rh(2)Ni(1)(111) metals at various P(H(2))/P(H(2)S) ratios. Bimetallic Rh-Ni metals transition to a clean surface at lower temperatures than does the pure Rh metal. Whereas Rh is covered with (1)/(3) ML of sulfur under the reforming conditions of 4-100 ppm S and 800 °C, Rh(1)Ni(2) is covered with (1)/(9) ML of sulfur at the lower end of this range (4-33 ppm S). The possibility of sulfate formation on Rh catalysts was examined by considering higher oxygen pressures, a Rh(221) stepped surface, and the interface between a Rh(4) cluster and CeO(2)(111) surface. SO(x) surface species are stable only at high oxygen pressure or low temperatures outside those relevant to the steam reforming of hydrocarbons
|
| 650 |
|
4 |
|a Journal Article
|
| 700 |
1 |
|
|a Song, Chunshan
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Janik, Michael J
|e verfasserin
|4 aut
|
| 773 |
0 |
8 |
|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 28(2012), 13 vom: 03. Apr., Seite 5660-8
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
|
| 773 |
1 |
8 |
|g volume:28
|g year:2012
|g number:13
|g day:03
|g month:04
|g pages:5660-8
|
| 856 |
4 |
0 |
|u http://dx.doi.org/10.1021/la300129z
|3 Volltext
|
| 912 |
|
|
|a GBV_USEFLAG_A
|
| 912 |
|
|
|a SYSFLAG_A
|
| 912 |
|
|
|a GBV_NLM
|
| 912 |
|
|
|a GBV_ILN_22
|
| 912 |
|
|
|a GBV_ILN_350
|
| 912 |
|
|
|a GBV_ILN_721
|
| 951 |
|
|
|a AR
|
| 952 |
|
|
|d 28
|j 2012
|e 13
|b 03
|c 04
|h 5660-8
|