scholarly journals Efficient Model Transition in Adaptive Multi-Resolution Modeling of Biopolymers

10.5772/48196 ◽  
2012 ◽  
Author(s):  
Mohammad Poursina ◽  
Imad M. ◽  
Kurt S.
Keyword(s):  
Model Transition

scholarly journals The Effect of Iron Impurities on Transition Metal Catalysts for the Oxygen Evolution Reaction in Alkaline Environment: Activity Mediators or Active Sites?

2020 ◽  
Author(s):  
Ioannis Spanos ◽  
Justus Masa ◽  
Aleksandar Zeradjanin ◽  
Robert Schlögl
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Metal Catalysts ◽  
Transition Metal Catalysts ◽  
Alkaline Water Electrolysis ◽  
Co Catalysts ◽  
Model Transition

AbstractThere is an ongoing debate on elucidating the actual role of Fe impurities in alkaline water electrolysis, acting either as reactivity mediators or as co-catalysts through synergistic interaction with the main catalyst material. This perspective summarizes the most prominent oxygen evolution reaction (OER) mechanisms mostly for Ni-based oxides as model transition metal catalysts and highlights the effect of Fe incorporation on the catalyst surface in the form of impurities originating from the electrolyte or co-precipitated in the catalyst lattice, in modulating the OER reaction kinetics, mechanism and stability. Graphic Abstract

Mechanisms for hydrogen evolution on transition metal phosphide catalysts and a comparison to Pt(111)

2019 ◽  
Vol 21 (44) ◽  
pp. 24489-24498 ◽  
Author(s):  
Chenyang Li ◽  
Hao Gao ◽  
Wan Wan ◽  
Tim Mueller
Keyword(s):  
Monte Carlo ◽  
Transition Metal ◽  
Monte Carlo Simulations ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Surface Coverage ◽  
Cluster Expansions ◽  
Metal Phosphide ◽  
Transition Metal Phosphide ◽  
Model Transition

Cluster expansions and Monte Carlo simulations provide insights into the mechanisms for the hydrogen evolution reaction and the effects of potential and surface coverage on Pt(111) and model transition metal phosphide surfaces.

Chemisorption of Ordered Overlayer on a Tight-Binding Metal Surface Two-Level Adsorbate

1982 ◽  
Vol 37 (10) ◽  
pp. 1147-1164
Author(s):  
K. Masuda
Keyword(s):  
Phase Shift ◽  
Transition Metal ◽  
Density Of States ◽  
Tight Binding ◽  
Electronic States ◽  
Bridge Site ◽  
Bonding Interaction ◽  
Model Transition ◽  
Adsorbate Structure ◽  
Shift Technique

The chemisorption of a two-level (at E1 and E2) adsorbate on the (001) surface of a tightbinding metal is investigated using the Green's function formalism and the phase shift technique. The adorbital density of states (DOS)ϱa(E) as well as the change in the electronic DOS Δϱ(E; E1, E2) due to chemisorption are calculated for the ordered overlayers with c(2 x 2), p(2 x 1), p(2 X 2), p(4 X 1) and c(4 X 2) structures. It is assumed that the chemisorbed species sit over the twofold bridge site of the (001) surface of the model transition metal and have a π-bonding interaction with the two substrate atoms. It is shown that the electronic states of the overlayers are very sensitive to the adsorbate coverage (0), adsorbate structure and adsorbate species (one level or two level adsorbates). Furthermore, it is shown that there are marked differences in the Δϱ(E) curves between the chemisorption of two level adsorbates Δϱ(E; E1, E2) and that of single level adsorbates Δϱ(E; E1) + Δϱ(E; E2) (simulating the changes in the electronic DOS during the dissociation of diatomic molecules).

scholarly journals Real-Time Robust 3D Plane Extraction for Wearable Robot Perception and Control

2018 ◽  
Author(s):  
Ran Duan ◽  
Shuangyue Yu ◽  
Guang Yue ◽  
Richard Foulds ◽  
Chen Feng ◽  
...  
Keyword(s):  
Wearable Robot ◽  
Intelligent Control System ◽  
Robot Perception ◽  
Perception System ◽  
Plane Extraction ◽  
Environment Perception ◽  
Model Transition ◽  
Terrain Sensing ◽  
Task Oriented ◽  
And Control

Wearable environment perception system has the great potential for improving the autonomous control of mobility aids [1]. A visual perception system could provide abundant information of surroundings to assist the task-oriented control such as navigation, obstacle avoidance, object detection, etc., which are essential functions for the wearers who are visually impaired or blind [2, 3, 4]. Moreover, a vision-based terrain sensing is a critical input to the decision-making for the intelligent control system. Especially for the users who find difficulties in manually achieving a seamless control model transition.

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