Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Ralf Tonner-Zech"'
Autor:
Fabian Pieck, Ralf Tonner-Zech
Publikováno v:
Molecules, Vol 26, Iss 21, p 6653 (2021)
The reactivity and bonding of an ethinyl-functionalized cyclooctyne on Si(001) is studied by means of density functional theory. This system is promising for the organic functionalization of semiconductors. Singly bonded adsorption structures are obt
Externí odkaz:
https://doaj.org/article/9f99e2fe447e4358a580c3d5d52717ad
Publikováno v:
Chemical Communications. 59:2150-2152
Capturing dinitrogen at a high-valent metal centre using a cavitand-based ligand.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::829c600ea865580c5dc8bbad2f188b00
https://doi.org/10.1039/d2cc06837k
https://doi.org/10.1039/d2cc06837k
Autor:
Benedikt P. Klein, Alexander Ihle, Stefan R. Kachel, Lukas Ruppenthal, Samuel J. Hall, Lars Sattler, Sebastian M. Weber, Jan Herritsch, Andrea Jaegermann, Daniel Ebeling, Reinhard J. Maurer, Gerhard Hilt, Ralf Tonner-Zech, André Schirmeisen, J. Michael Gottfried
Publikováno v:
ACS Nano. 16:11979-11987
Defects play a critical role for the functionality and performance of materials, but the understanding of the related effects is often lacking, because the typically low concentrations of defects make them difficult to study. A prominent case is the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f1b88b8da602920adb1aed2d2873cd25
https://doi.org/10.1021/acsnano.2c01952
https://doi.org/10.1021/acsnano.2c01952
Autor:
Il-Kwon Oh, Tania E. Sandoval, Tzu-Ling Liu, Nathaniel E. Richey, Chi Thang Nguyen, Bonwook Gu, Han-Bo-Ram Lee, Ralf Tonner-Zech, Stacey F. Bent
Publikováno v:
Journal of the American Chemical Society. 144:11757-11766
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::caf75b97a14540b23f8f4bebdfeb12c9
https://doi.org/10.1021/jacs.2c03752
https://doi.org/10.1021/jacs.2c03752
Publikováno v:
Dalton Transactions. 51:13771-13778
The synthesis and characterization of a new silver iodido bismuthate with a low optical band gap highlights the decisive role of building unit connectivity for the optical properties in this class of materials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::484c67681ba86c10f49150b97d799af5
https://doi.org/10.1039/d2dt02305a
https://doi.org/10.1039/d2dt02305a
Publikováno v:
High Performance Computing in Science and Engineering '21 ISBN: 9783031179365
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87333de9cb1909912b84210c04fa1344
https://doi.org/10.1007/978-3-031-17937-2_7
https://doi.org/10.1007/978-3-031-17937-2_7
Autor:
Jan‐Niclas Luy, Pascal Henkel, Daniel Grigjanis, Jannis Jung, Doreen Mollenhauer, Ralf Tonner‐Zech
Publikováno v:
Journal of computational chemistryREFERENCES.
On-surface synthesis has become a thriving topic in surface science. The Ullmann coupling reaction is the most applied synthetic route today, but the nature of the organometallic intermediate is still under discussion. We investigate the bonding natu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df8c9296e0c7cf30683d701ce7d0dc1e
https://pubmed.ncbi.nlm.nih.gov/35397119
https://pubmed.ncbi.nlm.nih.gov/35397119
Autor:
Badal Mondal, Ralf Tonner-Zech
The modification of the nature and size of bandgaps for III-V semiconductors is of strong interest for optoelectronic applications. Strain can be used to systematically tune the bandgap over a wide range of values and induce indirect-to-direct transi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c152a4e10aa1b434a09160cb6bec1d7
Autor:
Ralf Tonner-Zech, Fabian Pieck
Publikováno v:
Molecules
Volume 26
Issue 21
Molecules, Vol 26, Iss 6653, p 6653 (2021)
Volume 26
Issue 21
Molecules, Vol 26, Iss 6653, p 6653 (2021)
The reactivity and bonding of an ethinyl-functionalized cyclooctyne on Si(001) is studied by means of density functional theory. This system is promising for the organic functionalization of semiconductors. Singly bonded adsorption structures are obt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cec9365fbdc1c84b758daeb333cab9c7
https://pubmed.ncbi.nlm.nih.gov/34771062
https://pubmed.ncbi.nlm.nih.gov/34771062
Autor:
Jan-Niclas Luy, Ralf Tonner-Zech
In this density functional theory study, the influence of the dimer vacancy on the reactivity of the Si(001) surface is investigated. To this end, electronic and structural properties of the defect are analyzed. Band structure calculations reveal a h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e0a943f4ba53c6f6e1db15ca1256c95c
https://doi.org/10.26434/chemrxiv.13547774.v2
https://doi.org/10.26434/chemrxiv.13547774.v2