Exploring similarities in reactivity of superatom species: a combined theoretical and experimental investigation
The replacement of group 10-based materials by superatoms has gained great attention due to studies presenting similarities in electronic character and reactive nature between pairs. The current study extends the concept to systems of larger and varied composition as the pairs PdO(+) and ZrO(2)(+) a...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2012-01, Vol.14 (6), p.1846-1849 |
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| container_title | Physical chemistry chemical physics : PCCP |
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| creator | TYO, Eric C NÖSSLER, Melanie RABE, Sabine HARMON, Christopher L MITRIC, Roland BONACIC-KOUTECKY, Vlasta CASTLEMAN, A. W |
| description | The replacement of group 10-based materials by superatoms has gained great attention due to studies presenting similarities in electronic character and reactive nature between pairs. The current study extends the concept to systems of larger and varied composition as the pairs PdO(+) and ZrO(2)(+) as well as NiO(+) and TiO(2)(+) are interacted with C(2)H(4) and CO through DFT calculations and guided-ion-beam mass spectrometry. It is determined that the pairs readily oxidize C(2)H(4) while oxygen transfer is limited towards CO. Interestingly, within the reaction profiles for oxidation of C(2)H(4) by PdO(+) and NiO(+), a spin crossover is observed which greatly increases the exothermicity of the process. This investigation presents a major step in identifying replacements for expensive group 10 metals in catalytic materials. |
| doi_str_mv | 10.1039/c2cp23243j |
| format | Article |
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This investigation presents a major step in identifying replacements for expensive group 10 metals in catalytic materials.</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/c2cp23243j</identifier><identifier>PMID: 22234327</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Analogies ; Carbon monoxide ; Catalysis ; Chemistry ; Crossovers ; Electronics ; Exact sciences and technology ; Exothermic reactions ; General and physical chemistry ; Mathematical analysis ; Physical chemistry ; Theory of reactions, general kinetics. Catalysis. 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W</creatorcontrib><title>Exploring similarities in reactivity of superatom species: a combined theoretical and experimental investigation</title><title>Physical chemistry chemical physics : PCCP</title><addtitle>Phys Chem Chem Phys</addtitle><description>The replacement of group 10-based materials by superatoms has gained great attention due to studies presenting similarities in electronic character and reactive nature between pairs. The current study extends the concept to systems of larger and varied composition as the pairs PdO(+) and ZrO(2)(+) as well as NiO(+) and TiO(2)(+) are interacted with C(2)H(4) and CO through DFT calculations and guided-ion-beam mass spectrometry. It is determined that the pairs readily oxidize C(2)H(4) while oxygen transfer is limited towards CO. Interestingly, within the reaction profiles for oxidation of C(2)H(4) by PdO(+) and NiO(+), a spin crossover is observed which greatly increases the exothermicity of the process. This investigation presents a major step in identifying replacements for expensive group 10 metals in catalytic materials.</description><subject>Analogies</subject><subject>Carbon monoxide</subject><subject>Catalysis</subject><subject>Chemistry</subject><subject>Crossovers</subject><subject>Electronics</subject><subject>Exact sciences and technology</subject><subject>Exothermic reactions</subject><subject>General and physical chemistry</subject><subject>Mathematical analysis</subject><subject>Physical chemistry</subject><subject>Theory of reactions, general kinetics. Catalysis. 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It is determined that the pairs readily oxidize C(2)H(4) while oxygen transfer is limited towards CO. Interestingly, within the reaction profiles for oxidation of C(2)H(4) by PdO(+) and NiO(+), a spin crossover is observed which greatly increases the exothermicity of the process. This investigation presents a major step in identifying replacements for expensive group 10 metals in catalytic materials.</abstract><cop>Cambridge</cop><pub>Royal Society of Chemistry</pub><pmid>22234327</pmid><doi>10.1039/c2cp23243j</doi><tpages>4</tpages></addata></record> |
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| ispartof | Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (6), p.1846-1849 |
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| language | eng |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Analogies Carbon monoxide Catalysis Chemistry Crossovers Electronics Exact sciences and technology Exothermic reactions General and physical chemistry Mathematical analysis Physical chemistry Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry Titanium dioxide |
| title | Exploring similarities in reactivity of superatom species: a combined theoretical and experimental investigation |
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