Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Ersen Mete"'
Publikováno v:
ACS Applied Nano Materials. 5:11185-11193
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::681c8064ef37c5602852698b532302d4
https://doi.org/10.1021/acsanm.2c02339
https://doi.org/10.1021/acsanm.2c02339
Publikováno v:
Faraday Discussions.
Interactions between atomic hydrogen and dinitrogen are facile under ambient conditions. N–NH3 is the best candidate estimated by DFT corroborating the experimental IR shift. Desorption of NH3 limits the rates under subcritical conditions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a7aa24b8ddc2061f06206000a2ea642
https://doi.org/10.1039/d2fd00173j
https://doi.org/10.1039/d2fd00173j
Autor:
Tomas Base, Adem Yavuz, Han Guo, Erin Avery, Michal Dušek, Jan Macháček, Mehmet Fatih Danışman, Monika Kučeráková, Anastassia N. Alexandrova, Václav Šícha, Nathan M. Gallup, K. N. Houk, Brian J. Levandowski, Zdenek Bastl, Saliha Gün, Jan Stanek, John C. Thomas, Paul S. Weiss, Dominic P. Goronzy, Ersen Mete
Publikováno v:
Chemistry of Materials. 32:6800-6809
The structure and function of self-assembled monolayers (SAMs) at the nanoscale are determined by the steric and electronic effects of their building blocks. Carboranethiol molecules form pristine ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08f3d734605c95da926bbbbcce3f17dd
https://doi.org/10.1021/acs.chemmater.0c02722
https://doi.org/10.1021/acs.chemmater.0c02722
Publikováno v:
International Journal of Hydrogen Energy. 45:18782-18788
Hydrogen storage is a critical step for commercialisation of hydrogen consumed energy production. Among other storage methods, solid state storage of hydrogen attracts much attention and requires extensive research. This study rationally and systemat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e54853e2ea0ff4eb69407945aaff6cfa
https://doi.org/10.1016/j.ijhydene.2020.05.037
https://doi.org/10.1016/j.ijhydene.2020.05.037
Publikováno v:
SSRN Electronic Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b0ac992f958914b81448ef4993bad55
https://doi.org/10.2139/ssrn.4278677
https://doi.org/10.2139/ssrn.4278677
Publikováno v:
The Journal of Physical Chemistry C
Mete, Ersen (Balikesir Author)
In this work, using the state-of-the-art first-principles calculations based on density functional theory, we found that the concentration and coordination of surface oxygen vacancies with respect to each other wer
In this work, using the state-of-the-art first-principles calculations based on density functional theory, we found that the concentration and coordination of surface oxygen vacancies with respect to each other wer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1b04066067b3b3cffac50d50cea3bf8
http://arxiv.org/abs/2009.08223
http://arxiv.org/abs/2009.08223
Autor:
Merve Yortanlı, Ersen Mete
The morphological and electronic properties of isolated and monolayer phases of carboxyl- and amine-functionalized carboranethiols on unreconstructed Au(111) were determined using density functional theory calculations by including van der Waals inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e033f16d8eccb3a7fabf53ec78bb2cc
Autor:
Merve Yortanlı, Ersen Mete
Graphene adsorption on Au(111) surface was explored to identify their common surface structures by means of van der Waals corrected density functional theory calculations. The alignment of graphene in the form of certain rotational angles on the gold
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::65aa90a689f6e4a31e67fb6e796b46d2
http://arxiv.org/abs/1909.03652
http://arxiv.org/abs/1909.03652
Autor:
Deniz Uner, Sinasi Ellialtioglu, Oguz Gulseren, Selda Odabaşı, Haiyan Mao, Ersen Mete, Jeffrey A. Reimer, Tiffany Chung
Publikováno v:
Journal of Physical Chemistry C
The Journal of Physical Chemistry C, vol 123, iss 44
Journal of Physical Chemistry C, vol 123, iss 44
The Journal of Physical Chemistry C, vol 123, iss 44
Journal of Physical Chemistry C, vol 123, iss 44
Mete, Ersen (Balikesir Author)
The effects of Co addition on the chemical and electronic structure of PbTiO3 were explored both by theory and through experiment. Cobalt was incorporated into PbTiO3 during the sol-gel process with the X-ray diffr
The effects of Co addition on the chemical and electronic structure of PbTiO3 were explored both by theory and through experiment. Cobalt was incorporated into PbTiO3 during the sol-gel process with the X-ray diffr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b23565bbf9e7848ee6135ee6528c1c6
https://hdl.handle.net/20.500.12462/10482
https://hdl.handle.net/20.500.12462/10482
The energetics and structures of physisorbed and chemisorbed alkanethiols on Au(111) have been systematically investigated up to 10 carbon atoms using van der Waals (vdW) corrected density functional theory (DFT) calculations. The role of chain lengt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f5b8655e6d47a4f72e77dc889999cd1e