dc.contributor.author | Tao, Franklin Feng | |
dc.contributor.author | Wang, Zhong Hai | |
dc.contributor.author | Qiao, Ming Hua | |
dc.contributor.author | Liu, Qin | |
dc.contributor.author | Sim, Wee Sun | |
dc.contributor.author | Xu, Guo Qin | |
dc.date.accessioned | 2015-11-20T20:24:29Z | |
dc.date.available | 2015-11-20T20:24:29Z | |
dc.date.issued | 2001 | |
dc.identifier.citation | Tao, Feng, Zhong Hai Wang, Ming Hua Qiao, Qin Liu, Wee Sun Sim, and Guo Qin Xu. "Covalent Attachment of Acetonitrile on Si(100) through Si–C and Si–N Linkages." The Journal of Chemical Physics J. Chem. Phys. 115.18 (2001): 8563. http://dx.doi.org/10.1063/1.1410388 | en_US |
dc.identifier.uri | http://hdl.handle.net/1808/18959 | |
dc.description | this is the published version. Copyright 2001 American Institute of Physics | en_US |
dc.description.abstract | The covalent binding and adsorption states of acetonitrile on Si(100) have been investigated using temperature programmed desorption(TPD),x-ray photoelectron spectroscopy(XPS), high-resolution electron energy loss spectroscopy (HREELS), and density functiontheory(DFT) calculation. XPS and HREELS results show that acetonitrile chemisorbs on Si(100) in a side-on di-σ binding configuration, forming Si–C and Si–N σ bonds. TPD measurements reveal the presence of two desorption states, β1 and β2 with desorption energies of 29.8 and 24.6 kcal mol−1, respectively. Based on DFT calculations, the β1 state is possibly assigned to di-σ bonded acetonitrile on top of a dimer and/or in an in-row bridging chemisorption, while the β2 state is related to acetonitrile bonded in a cross-row bridging configuration. | en_US |
dc.publisher | American Institute of Physics | en_US |
dc.subject | Desorption | en_US |
dc.subject | Density functional theory | en_US |
dc.subject | X-ray photoelectron spectroscopy | en_US |
dc.subject | Adsorption | en_US |
dc.subject | Bond formation | en_US |
dc.title | Covalent attachment of acetonitrile on Si(100) through Si–C and Si–N linkages | en_US |
dc.type | Article | |
kusw.kuauthor | Tao, Franklin Feng | |
kusw.kudepartment | Chemical & Petroleum Engr | en_US |
dc.identifier.doi | 10.1063/1.1410388 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess | |