Zobrazeno 1 - 10
of 465
pro vyhledávání: '"Wolfgang, Wenzel"'
Autor:
Luis Octavio de Araujo, Celso R. C. Rêgo, Wolfgang Wenzel, Maurício Jeomar Piotrowski, Alexandre Cavalheiro Dias, Diego Guedes-Sobrinho
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-14 (2024)
Abstract In this first-principles investigation, we explore the polymorphic features of pseudo-cubic alloys, focusing on the impact of mixing organic and inorganic cations on their structural and electronic properties, configurational disorder, and t
Externí odkaz:
https://doaj.org/article/09bd8b99dd5b45999d4d74b4dbe8d644
Autor:
Mersad Mostaghimi, Helmy Pacheco Hernandez, Yunzhe Jiang, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-12 (2023)
Abstract Materials with photoswitchable electronic properties and conductance values that can be reversibly changed over many orders of magnitude are highly desirable. Metal-organic framework (MOF) films functionalized with photoresponsive spiropyran
Externí odkaz:
https://doaj.org/article/76dde5c956cd45a8945b3f5d68ea065c
Autor:
Artem Fediai, Patrick Reiser, Jorge Enrique Olivares Peña, Pascal Friederich, Wolfgang Wenzel
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-7 (2023)
Abstract HOMO and LUMO energies are critical molecular properties that typically require high accuracy computations for practical applicability. Until now, a comprehensive dataset containing sufficiently accurate HOMO and LUMO energies has been unava
Externí odkaz:
https://doaj.org/article/6e17245b13eb4c48a8bbddea8dca625b
Autor:
Jonas Armleder, Tobias Neumann, Franz Symalla, Timo Strunk, Jorge Enrique Olivares Peña, Wolfgang Wenzel, Artem Fediai
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-9 (2023)
Doping is widely adopted to make organic semiconductors more conductive, yet the impact of molecular electronic properties on doping performance is still not fully understood. Armleder et al. compute host-dopant interactions and show that a short-ran
Externí odkaz:
https://doaj.org/article/692677aabdff47c1b6adc9fa7f860150
Publikováno v:
Frontiers in Physics, Vol 11 (2023)
Simulations have become increasingly important to understand and design organic optoelectronic devices, such as organic light emitting diodes (OLEDs) and to optimize their performance by selecting appropriate materials and layer arrangements. To achi
Externí odkaz:
https://doaj.org/article/cb38312a322547c3a69106e4e1d87c6f
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-10 (2022)
Direct laser writing is an effective technique for fabrication of complex 3D polymer networks using ultrashort laser pulses but to date it is difficult to obtain a time-resolved microscopic picture of the printing process in operando. Here, the use m
Externí odkaz:
https://doaj.org/article/02291fad86e749c69814737f04d277e7
Autor:
Ali Deniz Özdemir, Pramit Barua, Felix Pyatkov, Frank Hennrich, Yuan Chen, Wolfgang Wenzel, Ralph Krupke, Artem Fediai
Publikováno v:
Communications Physics, Vol 4, Iss 1, Pp 1-12 (2021)
The need for reduced dimensions of future devices pushes the limits of essential Si-based components and so alternative materials, such as carbon nanotubes or graphene, are being investigated as alternatives, but with new materials come new challenge
Externí odkaz:
https://doaj.org/article/53323d1f66e14ba4b583453067e561d9
Autor:
Celso R. C. Rêgo, Jörg Schaarschmidt, Tobias Schlöder, Montserrat Penaloza-Amion, Saientan Bag, Tobias Neumann, Timo Strunk, Wolfgang Wenzel
Publikováno v:
Frontiers in Materials, Vol 9 (2022)
Establishing a fundamental understanding of the nature of materials via computational simulation approaches requires knowledge from different areas, including physics, materials science, chemistry, mechanical engineering, mathematics, and computer sc
Externí odkaz:
https://doaj.org/article/707a16dd7c2542c9abe8083140a79fcf
Autor:
Mersad Mostaghimi, Celso R. C. Rêgo, Ritesh Haldar, Christof Wöll, Wolfgang Wenzel, Mariana Kozlowska
Publikováno v:
Frontiers in Materials, Vol 9 (2022)
The arrangement of organic semiconductor molecules in a material can be modulated using different supramolecular approaches, including the metal–organic framework (MOF) approach. These arrangements result in different frameworks topologies and stru
Externí odkaz:
https://doaj.org/article/a5b1df4635ee47619347054e9821406d
Autor:
Christoph Steinbeck, Oliver Koepler, Felix Bach, Sonja Herres-Pawlis, Nicole Jung, Johannes Liermann, Steffen Neumann, Matthias Razum, Carsten Baldauf, Frank Biedermann, Thomas Bocklitz, Franziska Boehm, Frank Broda, Paul Czodrowski, Thomas Engel, Martin Hicks, Stefan Kast, Carsten Kettner, Wolfram Koch, Giacomo Lanza, Andreas Link, Ricardo Mata, Wolfgang Nagel, Andrea Porzel, Nils Schlörer, Tobias Schulze, Hans-Georg Weinig, Wolfgang Wenzel, Ludger Wessjohann, Stefan Wulle
Publikováno v:
Research Ideas and Outcomes, Vol 6, Iss , Pp 1-100 (2020)
The vision of NFDI4Chem is the digitalisation of all key steps in chemical research to support scientists in their efforts to collect, store, process, analyse, disclose and re-use research data. Measures to promote Open Science and Research Data Mana
Externí odkaz:
https://doaj.org/article/15022b2d2d894598a307e4adcac3d52d