Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Rengin Peköz"'
Publikováno v:
ACS Omega, Vol 3, Iss 2, Pp 1815-1822 (2018)
Externí odkaz:
https://doaj.org/article/e40ecbd596a84bdb9d87d778e75c3fd1
Autor:
Davide Donadio, Rengin Peköz
Publikováno v:
Surface Science. 670:44-50
Halogenated aromatic molecules assemble on surfaces forming both hydrogen and halogen bonds. Even though these systems have been intensively studied on flat metal surfaces, high-index vicinal surfaces remain challenging, as they may induce complex ad
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61ee8d85ee73652c3be42325b212e56d
https://doi.org/10.1016/j.susc.2017.12.010
https://doi.org/10.1016/j.susc.2017.12.010
Autor:
Davide Donadio, Rengin Peköz
Publikováno v:
The Journal of Physical Chemistry C. 121:16783-16791
Steps at high-index metallic surfaces display higher chemical reactivity than close-packed surfaces and may give rise to selective adsorption and partial dissociation of water. Inspired by differential desorption experiments, we have studied the adso
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9eb69f9e46b6debb5670f25cdfd872e3
https://doi.org/10.1021/acs.jpcc.7b03226
https://doi.org/10.1021/acs.jpcc.7b03226
Autor:
Rengin Peköz
Publikováno v:
Computational Materials Science. 123:158-163
Structural and electronic properties of pristine and H-passivated wurtzite type ZnSe, ZnTe nanowires and ZnX/ZnY (X = Se(Te) and Y = Te(Se)) core/shell nanowires oriented along the [0 0 0 1] direction have been investigated using first-principles cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b94849c9dd7d1906e1aa91a221c49da
https://doi.org/10.1016/j.commatsci.2016.06.027
https://doi.org/10.1016/j.commatsci.2016.06.027
Publikováno v:
ACS Omega
ACS Omega, Vol 3, Iss 2, Pp 1815-1822 (2018)
ACS Omega, Vol 3, Iss 2, Pp 1815-1822 (2018)
The synthesis of atomically thin boron sheets on a silver substrate opened a new area in the field of two-dimensional systems. Similar to hydrogenated and halogenated graphene, the uniform coating of borophene with fluorine atoms can lead to new deri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e80b0b9c9bf3ef6de57dde4817b4342e
https://hdl.handle.net/11693/49998
https://hdl.handle.net/11693/49998
Publikováno v:
Physical Chemistry Chemical Physics
The realization of buckled monolayer sheets of boron (i.e., borophene) and its other polymorphs has attracted significant interest in the field of two-dimensional systems. Motivated by borophene's tendency to donate electrons, we analyzed the interac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d20b0526d8c44aa3e24f4f4415011bc
https://hdl.handle.net/11693/37243
https://hdl.handle.net/11693/37243
Publikováno v:
Reviews in Theoretical Science. 2:301-319
Synthesis, characterization, physics, and chemistry of nanoclusters have been the focus of intense attention for the last two decades. Also, their unique statues that they are between molecule and bulk material is the central reason for the theoretic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e0900a721a33cee0eddc8eff6c1ebe8
https://doi.org/10.1166/rits.2014.1026
https://doi.org/10.1166/rits.2014.1026
Publikováno v:
The Journal of Physical Chemistry C. 118:6235-6241
The interaction of aromatic molecules with metal surfaces is of key relevance for the functionality of molecular electronics and organic electronics devices. One way to control and tune the binding properties of molecules to metals is chemical functi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1f65f7a2746eaddbc6d4118fc0eeed0
https://doi.org/10.1021/jp411422x
https://doi.org/10.1021/jp411422x
Autor:
Davide Donadio, Rengin Peköz
Publikováno v:
Peköz, R; & Donadio, D. (2016). Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces. Journal of Chemical Physics, 145(10), 104701. doi: 10.1063/1.4962236. UC Davis: Retrieved from: http://www.escholarship.org/uc/item/2kh206rw
The Journal of chemical physics, vol 145, iss 10
The Journal of chemical physics, vol 145, iss 10
© 2016 Author(s). The adsorption of phenol and phenoxy on the (111) surface of Au and Pt has been investigated by density functional theory calculations with the conventional PBE functional and three different non-local van der Waals (vdW) exchange
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e001dadd75ab66d2c1282f8b0ad92a2
http://www.escholarship.org/uc/item/2kh206rw
http://www.escholarship.org/uc/item/2kh206rw
Publikováno v:
Johnston, K; Pekoz, R; & Donadio, D. (2016). Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory. Surface Science, 644, 113-121. doi: 10.1016/j.susc.2015.09.017. UC Davis: Retrieved from: http://www.escholarship.org/uc/item/8dz5k8cj
© 2015 Elsevier B.V.All rights reserved. Adsorption of aromatic molecules on surfaces is widely studied due to applications in molecular electronics. In this work, the adsorption of iodobenzene molecules on the Pt(111) surface has been studied using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd456641f4aa06e4d8b64c2a783dc581
https://escholarship.org/uc/item/8dz5k8cj
https://escholarship.org/uc/item/8dz5k8cj