Surface Chemistry of the Molecular Solar Thermal Energy Storage System 2,3‐Dicyano‐Norbornadiene/Quadricyclane on Ni(111) Article Swipe
Felix Hemauer
,
Udo Bauer
,
Lukas Fromm
,
Cornelius Weiß
,
Andreas Leng
,
Philipp Bachmann
,
Fabian Düll
,
Johann Steinhauer
,
Valentin Schwaab
,
Robert Grzonka
,
Andreas Hirsch
,
Andreas Görling
,
Hans‐Peter Steinrück
,
Christian Papp
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.1002/cphc.202200199
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.1002/cphc.202200199
Molecular solar thermal (MOST) systems are a promising approach for the introduction of sustainable energy storage solutions. We investigated the feasibility of the dicyano‐substituted norbornadiene/quadricyclane molecule pair on Ni(111) for catalytic model studies. This derivatization is known to lead to a desired bathochromic shift of the absorption maximum of the parent compound. In our experiments further favorable properties were found: At low temperatures, both molecules adsorb intact without any dissociation. In situ temperature‐programmed HR‐XPS experiments reveal the conversion of (CN) 2 ‐quadricyclane to (CN) 2 ‐norbornadiene under energy release between 175 and 260 K. The absence of other surface species due to side reactions indicates full isomerization. Further heating leads to the decomposition of the molecular framework into smaller carbonaceous fragments above 290 K and finally to amorphous structures, carbide and nitride above 400 K. DFT calculations gave insights into the adsorption geometries. (CN) 2 ‐norbornadiene is expected to interact stronger with the surface, with flat configurations being favorable. (CN) 2 ‐quadricyclane exhibits smaller adsorption energies with negligible differences for flat and side‐on geometries. Simulated XP spectra are in good agreement with experimental findings further supporting the specific spectroscopic fingerprints for both valence isomers.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1002/cphc.202200199
- OA Status
- green
- Cited By
- 10
- References
- 82
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4281482248
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4281482248Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1002/cphc.202200199Digital Object Identifier
- Title
-
Surface Chemistry of the Molecular Solar Thermal Energy Storage System 2,3‐Dicyano‐Norbornadiene/Quadricyclane on Ni(111)Work title
- Type
-
articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2022Year of publication
- Publication date
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2022-05-25Full publication date if available
- Authors
-
Felix Hemauer, Udo Bauer, Lukas Fromm, Cornelius Weiß, Andreas Leng, Philipp Bachmann, Fabian Düll, Johann Steinhauer, Valentin Schwaab, Robert Grzonka, Andreas Hirsch, Andreas Görling, Hans‐Peter Steinrück, Christian PappList of authors in order
- Landing page
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https://doi.org/10.1002/cphc.202200199Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
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greenOpen access status per OpenAlex
- OA URL
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https://www.ncbi.nlm.nih.gov/pmc/articles/9544604Direct OA link when available
- Concepts
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Quadricyclane, Norbornadiene, Chemistry, Isomerization, Photochemistry, Dissociation (chemistry), Adsorption, Physical chemistry, Computational chemistry, Catalysis, Organic chemistryTop concepts (fields/topics) attached by OpenAlex
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10Total citation count in OpenAlex
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2024: 4, 2023: 5, 2022: 1Per-year citation counts (last 5 years)
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82Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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| abstract_inverted_index.adsorb | 66 |
| abstract_inverted_index.energy | 15, 88 |
| abstract_inverted_index.found: | 60 |
| abstract_inverted_index.intact | 67 |
| abstract_inverted_index.parent | 51 |
| abstract_inverted_index.reveal | 76 |
| abstract_inverted_index.Further | 108 |
| abstract_inverted_index.Ni(111) | 29 |
| abstract_inverted_index.absence | 96 |
| abstract_inverted_index.between | 90 |
| abstract_inverted_index.carbide | 130 |
| abstract_inverted_index.desired | 42 |
| abstract_inverted_index.finally | 126 |
| abstract_inverted_index.further | 56, 185 |
| abstract_inverted_index.heating | 109 |
| abstract_inverted_index.maximum | 48 |
| abstract_inverted_index.nitride | 132 |
| abstract_inverted_index.release | 89 |
| abstract_inverted_index.smaller | 119, 164 |
| abstract_inverted_index.species | 100 |
| abstract_inverted_index.spectra | 177 |
| abstract_inverted_index.storage | 16 |
| abstract_inverted_index.surface | 99 |
| abstract_inverted_index.systems | 5 |
| abstract_inverted_index.thermal | 3 |
| abstract_inverted_index.valence | 193 |
| abstract_inverted_index.without | 68 |
| abstract_inverted_index.Abstract | 0 |
| abstract_inverted_index.HR‐XPS | 74 |
| abstract_inverted_index.approach | 9 |
| abstract_inverted_index.energies | 166 |
| abstract_inverted_index.exhibits | 163 |
| abstract_inverted_index.expected | 148 |
| abstract_inverted_index.findings | 184 |
| abstract_inverted_index.insights | 139 |
| abstract_inverted_index.interact | 150 |
| abstract_inverted_index.isomers. | 194 |
| abstract_inverted_index.molecule | 26 |
| abstract_inverted_index.specific | 188 |
| abstract_inverted_index.stronger | 151 |
| abstract_inverted_index.studies. | 33 |
| abstract_inverted_index.surface, | 154 |
| abstract_inverted_index.Molecular | 1 |
| abstract_inverted_index.Simulated | 175 |
| abstract_inverted_index.agreement | 181 |
| abstract_inverted_index.amorphous | 128 |
| abstract_inverted_index.catalytic | 31 |
| abstract_inverted_index.compound. | 52 |
| abstract_inverted_index.favorable | 57 |
| abstract_inverted_index.fragments | 121 |
| abstract_inverted_index.framework | 117 |
| abstract_inverted_index.indicates | 105 |
| abstract_inverted_index.molecular | 116 |
| abstract_inverted_index.molecules | 65 |
| abstract_inverted_index.promising | 8 |
| abstract_inverted_index.reactions | 104 |
| abstract_inverted_index.side‐on | 173 |
| abstract_inverted_index.absorption | 47 |
| abstract_inverted_index.adsorption | 142, 165 |
| abstract_inverted_index.conversion | 78 |
| abstract_inverted_index.favorable. | 159 |
| abstract_inverted_index.negligible | 168 |
| abstract_inverted_index.properties | 58 |
| abstract_inverted_index.solutions. | 17 |
| abstract_inverted_index.supporting | 186 |
| abstract_inverted_index.differences | 169 |
| abstract_inverted_index.experiments | 55, 75 |
| abstract_inverted_index.feasibility | 21 |
| abstract_inverted_index.geometries. | 143, 174 |
| abstract_inverted_index.structures, | 129 |
| abstract_inverted_index.sustainable | 14 |
| abstract_inverted_index.bathochromic | 43 |
| abstract_inverted_index.calculations | 137 |
| abstract_inverted_index.carbonaceous | 120 |
| abstract_inverted_index.experimental | 183 |
| abstract_inverted_index.fingerprints | 190 |
| abstract_inverted_index.introduction | 12 |
| abstract_inverted_index.investigated | 19 |
| abstract_inverted_index.decomposition | 113 |
| abstract_inverted_index.dissociation. | 70 |
| abstract_inverted_index.spectroscopic | 189 |
| abstract_inverted_index.temperatures, | 63 |
| abstract_inverted_index.configurations | 157 |
| abstract_inverted_index.derivatization | 35 |
| abstract_inverted_index.isomerization. | 107 |
| abstract_inverted_index.‐norbornadiene | 86, 146 |
| abstract_inverted_index.‐quadricyclane | 82, 162 |
| abstract_inverted_index.dicyano‐substituted | 24 |
| abstract_inverted_index.temperature‐programmed | 73 |
| abstract_inverted_index.norbornadiene/quadricyclane | 25 |
| cited_by_percentile_year.max | 98 |
| cited_by_percentile_year.min | 89 |
| corresponding_author_ids | https://openalex.org/A5071842639 |
| countries_distinct_count | 1 |
| institutions_distinct_count | 14 |
| corresponding_institution_ids | https://openalex.org/I181369854, https://openalex.org/I75951250 |
| citation_normalized_percentile.value | 0.560315 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |