Please use this identifier to cite or link to this item:
https://doi.org/10.1038/ncomms13690
DC Field | Value | |
---|---|---|
dc.title | Bond selectivity in electron-induced reaction due to directed recoil on an anisotropic substrate | |
dc.contributor.author | Anggara, K | |
dc.contributor.author | Huang, K | |
dc.contributor.author | Leung, L | |
dc.contributor.author | Chatterjee, A | |
dc.contributor.author | Cheng, F | |
dc.contributor.author | Polanyi, J.C | |
dc.date.accessioned | 2020-10-26T03:04:27Z | |
dc.date.available | 2020-10-26T03:04:27Z | |
dc.date.issued | 2016 | |
dc.identifier.citation | Anggara, K, Huang, K, Leung, L, Chatterjee, A, Cheng, F, Polanyi, J.C (2016). Bond selectivity in electron-induced reaction due to directed recoil on an anisotropic substrate. Nature Communications 7 : 13690. ScholarBank@NUS Repository. https://doi.org/10.1038/ncomms13690 | |
dc.identifier.issn | 2041-1723 | |
dc.identifier.uri | https://scholarbank.nus.edu.sg/handle/10635/179777 | |
dc.description.abstract | Bond-selective reaction is central to heterogeneous catalysis. In heterogeneous catalysis, selectivity is found to depend on the chemical nature and morphology of the substrate. Here, however, we show a high degree of bond selectivity dependent only on adsorbate bond alignment. The system studied is the electron-induced reaction of meta-diiodobenzene physisorbed on Cu(110). Of the adsorbate's C-I bonds, C-I aligned € Along' the copper row dissociates in 99.3% of the cases giving surface reaction, whereas C-I bond aligned € Across' the rows dissociates in only 0.7% of the cases. A two-electronic-state molecular dynamics model attributes reaction to an initial transition to a repulsive state of an Along C-I, followed by directed recoil of C towards a Cu atom of the same row, forming C-Cu. A similar impulse on an Across C-I gives directed C that, moving across rows, does not encounter a Cu atom and hence exhibits markedly less reaction. | |
dc.publisher | Nature Publishing Group | |
dc.rights | Attribution 4.0 International | |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
dc.source | Unpaywall 20201031 | |
dc.subject | adsorption | |
dc.subject | catalysis | |
dc.subject | catalyst | |
dc.subject | chemical bonding | |
dc.subject | chemical reaction | |
dc.subject | copper | |
dc.subject | electron | |
dc.subject | molecular analysis | |
dc.subject | dissociation | |
dc.subject | model | |
dc.subject | molecular dynamics | |
dc.type | Article | |
dc.contributor.department | CHEMISTRY | |
dc.description.doi | 10.1038/ncomms13690 | |
dc.description.sourcetitle | Nature Communications | |
dc.description.volume | 7 | |
dc.description.page | 13690 | |
dc.published.state | published | |
Appears in Collections: | Elements Staff Publications |
Show simple item record
Files in This Item:
File | Description | Size | Format | Access Settings | Version | |
---|---|---|---|---|---|---|
10_1038_ncomms13690.pdf | 955.55 kB | Adobe PDF | OPEN | None | View/Download |
This item is licensed under a Creative Commons License