scholarly journals Theoretical prediction by DFT and experimental observation of heterocation-doping effects on hydrogen adsorption and migration over the CeO2(111) surface

2021 ◽  
Author(s):  
Kota Murakami ◽  
Yuta Mizutani ◽  
Hiroshi Sampei ◽  
Atsushi Ishikawa ◽  
Yuta Tanaka ◽  
...  
Keyword(s):  
Theoretical Prediction ◽  
Experimental Observation ◽  
Ionic Radius ◽  
Hydrogen Adsorption ◽  
Strong Binding ◽  
Doping Effects ◽  
Small Ionic Radius ◽  
And Migration

The addition of dopants with a small ionic radius led to strong binding of H atoms, and the balance of H+ reactivity (mobility) and H+ coverage was fundamentally important for high H+ conductivity and catalysis involving surface protonics.

Energetics and dynamics of hydrogen adsorption, desorption and migration on a carbon-supported palladium cluster

2010 ◽  
Vol 20 (46) ◽  
pp. 10503 ◽  
Author(s):  
Samir H. Mushrif ◽  
Alejandro D. Rey ◽  
Gilles H. Peslherbe
Keyword(s):  
Hydrogen Adsorption ◽  
Palladium Cluster ◽  
Supported Palladium ◽  
And Migration ◽  
Adsorption Desorption

Unsymmetrical Buckling of Thin Shallow Spherical Shells

1964 ◽  
Vol 31 (3) ◽  
pp. 447-457 ◽  
Author(s):  
Nai-Chien Huang
Keyword(s):  
Eigenvalue Problem ◽  
Theoretical Prediction ◽  
Experimental Observation ◽  
Large Range ◽  
Geometrical Parameters ◽  
Spherical Shells

The axisymmetrical snapping of clamped shallow spherical shells has been studied by many authors. There is found to be a discrepancy between the experimental observation of the buckling pressure and their theoretical prediction. In this paper, a study is made of the buckling pressure based on the initiation of unsymmetrical deflection. An eigenvalue problem is formulated and the buckling pressures for shells of a large range of geometrical parameters are obtained numerically. The present work reduces the gap between experiment and theory.

scholarly journals Small Ionic Radius Limits Magnesium Water Interaction in Amorphous Calcium/Magnesium Carbonates

2020 ◽  
Vol 124 (11) ◽  
pp. 6141-6144 ◽  
Author(s):  
Anders C. S. Jensen ◽  
Silvia Imberti ◽  
Wouter J.E.M. Habraken ◽  
Luca Bertinetti
Keyword(s):  
Ionic Radius ◽  
Water Interaction ◽  
Small Ionic Radius ◽  
Calcium Magnesium

Theoretical prediction and experimental observation of (n + 1)p to nl(l$\geq$2) transitions in excited sodium-rare-gas collisions

1984 ◽  
Vol 17 (15) ◽  
pp. 3209-3209 ◽  
Author(s):  
F Masnou-Seeuws ◽  
J Boulmer ◽  
T Maurin ◽  
A L Roche ◽  
P Valiron
Keyword(s):  
Theoretical Prediction ◽  
Experimental Observation ◽  
Rare Gas

A DFT Study of Hydrogen Adsorption on h-BN: Boron Doping Effects

2019 ◽  
Vol 11 (2) ◽  
pp. 02024-1-02024-5
Author(s):  
I. K. Petrushenko ◽  
Keyword(s):  
Hydrogen Adsorption ◽  
Boron Doping ◽  
Dft Study ◽  
Doping Effects

Water Jump Reorientation: From Theoretical Prediction to Experimental Observation

2011 ◽  
Vol 45 (1) ◽  
pp. 53-62 ◽  
Author(s):  
Damien Laage ◽  
Guillaume Stirnemann ◽  
Fabio Sterpone ◽  
James T. Hynes
Keyword(s):  
Theoretical Prediction ◽  
Experimental Observation

scholarly journals Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of Kα and Valence-to-Core Kβ X-ray Emission Spectroscopy

2020 ◽  
Vol 124 (26) ◽  
pp. 5415-5434 ◽  
Author(s):  
William M. Holden ◽  
Evan P. Jahrman ◽  
Niranjan Govind ◽  
Gerald T. Seidler
Keyword(s):  
Electronic Structure ◽  
Theoretical Prediction ◽  
Experimental Observation ◽  
Emission Spectroscopy ◽  
X Ray

Magnetic Anisotropy from Trigonal Prismatic to Trigonal Antiprismatic Co(II) Complexes: Experimental Observation and Theoretical Prediction

2018 ◽  
Vol 57 (7) ◽  
pp. 3903-3912 ◽  
Author(s):  
Jing Zhang ◽  
Jing Li ◽  
Li Yang ◽  
Chen Yuan ◽  
Yi-Quan Zhang ◽  
...  
Keyword(s):  
Theoretical Prediction ◽  
Magnetic Anisotropy ◽  
Experimental Observation ◽  
Trigonal Prismatic
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