Results 61 to 70 of about 1,203,016 (292)

Adsorption of Sugars on Al- and Ga-doped Boron Nitride Surfaces: A Computational Study

, 2015
Molecular adsorption on surfaces is a key element for many applications, including sensing and catalysis. Non-invasive sugar sensing has been an active area of research due to its importance to diabetes care.
Badawi, Ashraf, Darwish, Ahmed A., Fadlallah, Mohamed M., Maarouf, Ahmed A.   +3 more
core   +1 more source

A DFT study of the NO adsorption on Pdn (n = 1–4) clusters [PDF]

, 2011
We report a density-functional study of some properties of the adsorption process of the NO molecule on small palladium clusters (n = 1–4). The interaction between NO and the Pdn clusters is studied on various adsorption sites.
Alexiev, Valentin, Lacaze-Dufaure, Corinne, Mijoule, Claude, Mineva, Tzonka, Roques, Jérôme, Russo, Nino, Sicilia, Emilia   +6 more
core   +3 more sources

Removing Oxide Layers and Retaining Oxide‐Free Steel Surfaces by Polishing in Oxygen‐Free Atmosphere

Advanced Engineering Materials, EarlyView.
In this study, the efficacy of wet mechanical polishing under an oxygen‐free atmosphere for deoxidation and the retention of an oxide‐free steel surface are elucidated using X‐ray photoelectron spectroscopy. The methodology proved successful; however, the results were highly dependent on the preparation of the solvents used to clean the samples after ...
Friedrich Bürger, Lienhard Wegewitz, Wolfgang Maus‐Friedrichs   +2 more
wiley   +1 more source

Monodomain Liquid Crystals of Two-Dimensional Sheets by Boundary-Free Sheargraphy

Nano-Micro Letters, 2022
Highlights Monodomain liquid crystals of graphene oxide over 30 cm is realized by boundary-free sheargraphy. The achieved monodomain liquid crystals have bidirectional sheet ordering, exhibiting unique optical, rheological, and conductive properties ...
Min Cao, Senping Liu, Qingli Zhu, Ya Wang, Jingyu Ma, Zeshen Li, Dan Chang, Enhui Zhu, Xin Ming, Florian Puchtler, Josef Breu, Ziliang Wu, Yingjun Liu, Yanqiu Jiang, Zhen Xu, Chao Gao   +15 more
doaj   +1 more source

Dynamic density functional theory of protein adsorption on polymer-coated nanoparticles

, 2014
We present a theoretical model for the description of the adsorption kinetics of globular proteins onto charged core-shell microgel particles based on Dynamic Density Functional Theory (DDFT).
Angioletti-Uberti, Stefano, Ballauff, Matthias, Dzubiella, Joachim   +2 more
core   +1 more source

Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters : a computational study [PDF]

, 2013
Crotonaldehyde (2-butenal) adsorption over gold sub-nanometer particles, and the influence of co-adsorbed oxygen, has been systematically investigated by computational methods.
Adam F. Lee, Alves, Amft, Andreia Machado, Bader, Balcha, Becke, Blöchl, Boronat, Chen, Chin, Chin, Constantinos D. Zeinalipour-Yazdi, David J. Willock, Delbecq, Delbecq, Della Pina, Enache, Enache, Franceschetti, Gaskell, Hackett, Haubrich, Herzing, Howard, Häkkinan, Karen Wilson, Kresse, Kresse, Kresse, Lee, Lee, Lee, Lee, Lee, Lee, Linic, Lyalin, Maeland, Monkhorst, Mori, Mukhamedzyanova, Muzart, Naughton, Naughton, Parlett, Perdew, Peterson, Prabhakaran, Roldán, Stegelmann, Suzuki, Tang, Taylor, Tsunoyama, Zeinalipour-Yazdi   +55 more
core   +5 more sources

Investigation of Oxygen‐Free Wetting Behavior of Aluminum on Copper via Molecular Dynamics Simulations and Experiments

Advanced Engineering Materials, EarlyView.
The wettability of aluminum droplets (Al) on different copper substrates (Cu), where liquid Al spreads on solid Cu surfaces to form a liquid–solid interface, is studied numerically and experimentally. The experimental and numerical results show good agreement in the fast‐spreading regime.
Shan Lyu, Timon Steinhoff, Finn‐Lennard Janthur, Sarah Seffer, Jörg Hermsdorf, Christian Klose, Ludger Overmeyer, Hans‐Jürgen Maier, Nina Merkert   +8 more
wiley   +1 more source

Raman Spectroscopic Identification of Oxide Phases in a Corroded MgO–Steel Composite Anode Used in Aluminum Molten Salt Electrolysis

Advanced Engineering Materials, EarlyView.
Micro‐Raman spectroscopy is applied to characterize corrosion products in a recycled‐based MgO–316L steel composite anode after molten salt electrolysis. A depth‐dependent Fe–O/Fe–Al–O layer sequence of magnetite, hercynite, and an Al‐doped magnetite transition zone is identified.
Felix Drechsler, Serhii Yaroshevskyi, Alexander Adamczyk, Mahnaz Mehdizadehlima, Julia Richter, Cameliu Himcinschi, David Rafaja, Alexandros Charitos, Christos G. Aneziris, Jens Kortus   +9 more
wiley   +1 more source

Tuning hydrogen adsorption on graphene by gate voltage

, 2018
In order to realize applications of hydrogen-adsorbed graphene, a main issue is how to control hydrogen adsorption/desorption at room temperature. In this study, we demonstrate the possibility to tune hydrogen adsorption on graphene by applying a gate ...
Calzolari, Arrigo, Heun, Stefan, Murata, Yuya   +2 more
core   +2 more sources

Dielectric Barrier Discharge Plasma Deoxidation of Natively Oxide Layer of Copper Powders in a Fluidized Bed

Advanced Engineering Materials, EarlyView.
This paper presents a novel approach to reducing oxide layers on metal powders using low‐temperature hydrogen dielectric barrier discharge plasmas at atmospheric pressure. Unlike conventional hydrogen‐plasma reductions, the powders do not contact the plasma directly.
Shukang Zhang, Annett Wollmann, Thomas Gimpel, Alfred P. Weber   +3 more
wiley   +1 more source