Zobrazeno 1 - 10
of 1 709
pro vyhledávání: '"Reinhard J"'
Autor:
Rustem Bolat, Jose M. Guevara, Philipp Leinen, Marvin Knol, Hadi H. Arefi, Michael Maiworm, Rolf Findeisen, Ruslan Temirov, Oliver T. Hofmann, Reinhard J. Maurer, F. Stefan Tautz, Christian Wagner
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract The discrete and charge-separated nature of matter — electrons and nuclei — results in local electrostatic fields that are ubiquitous in nanoscale structures and relevant in catalysis, nanoelectronics and quantum nanoscience. Surface-ave
Externí odkaz:
https://doaj.org/article/75eac8214b4d46f0bdcc86afa121884b
Autor:
Wojciech G Stark, Cas van der Oord, Ilyes Batatia, Yaolong Zhang, Bin Jiang, Gábor Csányi, Reinhard J Maurer
Publikováno v:
Machine Learning: Science and Technology, Vol 5, Iss 3, p 030501 (2024)
Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the same time,
Externí odkaz:
https://doaj.org/article/e976c5dc8d274ddfa4b6e39fe135aca9
Autor:
Liwei Zhang, Berk Onat, Geneviève Dusson, Adam McSloy, G. Anand, Reinhard J. Maurer, Christoph Ortner, James R. Kermode
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-14 (2022)
Abstract We propose a scheme to construct predictive models for Hamiltonian matrices in atomic orbital representation from ab initio data as a function of atomic and bond environments. The scheme goes beyond conventional tight binding descriptions as
Externí odkaz:
https://doaj.org/article/3365b927591f4ba9bc2bb5a7fedc1d90
Autor:
Shayantan Chaudhuri, Samuel J. Hall, Benedikt P. Klein, Marc Walker, Andrew J. Logsdail, Julie V. Macpherson, Reinhard J. Maurer
Publikováno v:
Communications Materials, Vol 3, Iss 1, Pp 1-9 (2022)
Chemical vapor deposition of diamond typically results in the faster growth of the (110) facet, but achieving large-area and high-quality surfaces is challenging and requires post-growth processing. Here, the authors present a systematic characteriza
Externí odkaz:
https://doaj.org/article/ca8a272a0fb049cdad13549a8004aafa
Autor:
Dan-Qing Liu, Minkyung Kang, David Perry, Chang-Hui Chen, Geoff West, Xue Xia, Shayantan Chaudhuri, Zachary P. L. Laker, Neil R. Wilson, Gabriel N. Meloni, Marko M. Melander, Reinhard J. Maurer, Patrick R. Unwin
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
This combined experimental and theoretical study reveals the nature of electron transfer at graphene as grown on copper. The authors find that outer-sphere electron transfer occurs adiabatically with slower kinetics for multi- than for monolayer grap
Externí odkaz:
https://doaj.org/article/42229833e423464ebff002f2871fe6f0
Autor:
Preston, Riley J., Ke, Yaling, Rudge, Samuel L., Hertl, Nils, Borrelli, Raffaele, Maurer, Reinhard J., Thoss, Michael
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamical steering effects during chemical surface dynamics. We present a theoretical approach to the scattering of molecules from metal su
Externí odkaz:
http://arxiv.org/abs/2410.05142
Electrodeposition is a fundamental process in electrochemistry, and has applications in numerous industries, such as corrosion protection, decorative finishing, energy storage, catalysis, and electronics. While there is a long history of using electr
Externí odkaz:
http://arxiv.org/abs/2409.16704
In the dynamics of atoms and molecules at metal surfaces, electron-hole pair excitations can play a crucial role. In the case of hyperthermal hydrogen atom scattering, they lead to nonadiabatic energy loss and highly inelastic scattering. Molecular d
Externí odkaz:
http://arxiv.org/abs/2408.12949
Autor:
Manuela Sauter, Reinhard J. Sauter, Marcus Olbrich, Martin Thunemann, Susanne Feil, Robert Feil, Harald F. Langer
Publikováno v:
STAR Protocols, Vol 3, Iss 3, Pp 101645- (2022)
Summary: Here, we describe an in vivo approach to visualize CD11c+ cells in atherosclerosis. In particular, we use a protocol for X-Gal staining of immune cells within atherosclerotic plaques, which can be used as an alternative to analyze plaque com
Externí odkaz:
https://doaj.org/article/65b618a3d2824b03b5a3782fa5cd63b2
Autor:
Manuela Sauter, Reinhard J. Sauter, Henry Nording, Marcus Olbrich, Frederic Emschermann, Harald F. Langer
Publikováno v:
STAR Protocols, Vol 3, Iss 3, Pp 101664- (2022)
Summary: Different types of immune cells are involved in atherogenesis and may act atheroprotective or atheroprogressive. Here, we describe an in vitro approach to analyze CD11c+ cells and CD11c+-derived ApoE in atherosclerosis. The major steps inclu
Externí odkaz:
https://doaj.org/article/5a66948b66844be590fc4b150a9632a0