Molecular Hydrogen Adsorption onto the Si(111) 7 × 7 Surface

1988 ◽  
Vol 138 ◽  
Author(s):  
S. H. Wolff ◽  
S. Wagner ◽  
D. Loretto ◽  
J. M. Gibson
Keyword(s):  
Molecular Hydrogen ◽  
Hydrogen Adsorption

scholarly journals Effect of Size on Hydrogen Adsorption on the Surface of Deposited Gold Nanoparticles

Nanomaterials ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 344 ◽  
Author(s):  
Andrey Gatin ◽  
Maxim Grishin ◽  
Nadezhda Dokhlikova ◽  
Sergey Ozerin ◽  
Sergey Sarvadii ◽  
...  
Keyword(s):  
Experimental Study ◽  
Gold Nanoparticles ◽  
Scanning Tunneling Microscopy ◽  
Molecular Hydrogen ◽  
Hydrogen Adsorption ◽  
Pyrolytic Graphite ◽  
Scanning Tunneling ◽  
Hydrogen Chemisorption ◽  
Tunneling Microscopy ◽  
Average Size

An experimental study of molecular hydrogen adsorption on single gold nanoparticles of various sizes deposited on the surface of highly oriented pyrolytic graphite (HOPG) was carried out by means of scanning tunneling microscopy and spectroscopy. The effect of size on the HOPG/Au system was established. Hydrogen was dissociatively chemisorbed on the surface of gold nanoparticles with an average size of 5–6 nanometers. An increase in the size of nanoparticles to 10 nm or more led to hydrogen chemisorption being inhibited and unable to be detected.

Multi-scale theoretical investigation of molecular hydrogen adsorption over graphene: coronene as a case study

RSC Advances ◽  
2014 ◽  
Vol 4 (97) ◽  
pp. 54447-54453 ◽  
Author(s):  
Md Bin Yeamin ◽  
N. Faginas-Lago ◽  
M. Albertí ◽  
I. G. Cuesta ◽  
J. Sánchez-Marín ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dft Calculations ◽  
Modeling And Simulation ◽  
Molecular Dynamics Simulations ◽  
Multiscale Modeling ◽  
Molecular Hydrogen ◽  
Hydrogen Adsorption ◽  
Multi Scale ◽  
Dynamics Simulations

Multiscale modeling and simulation (MMS) combining B97-D/TZV2P DFT calculations and molecular dynamics simulations are performed to investigate the adsorption of hydrogen over coronene as a model of graphene.

Density Functional Study of Molecular Hydrogen Adsorption on Small Gold–Copper Binary Clusters

2015 ◽  
Vol 26 (2) ◽  
pp. 491-503 ◽  
Author(s):  
Shuang Zhao ◽  
XinZhe Tian ◽  
JunNa Liu ◽  
YunLai Ren ◽  
YunLi Ren ◽  
...  
Keyword(s):  
Molecular Hydrogen ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Functional Study ◽  
Density Functional Study ◽  
Binary Clusters

Ab-initio modelling of atomic and molecular Hydrogen adsorption in graphite

2001 ◽  
Vol 677 ◽  
Author(s):  
Sara Letardi ◽  
Massimo Celino ◽  
Fabrizio Cleri ◽  
Vittorio Rosato ◽  
Manuela Volpe
Keyword(s):  
Ab Initio ◽  
Binding Sites ◽  
Molecular Hydrogen ◽  
Hydrogen Adsorption ◽  
Electronic Structure Calculations ◽  
Regular Lattice ◽  
Graphite Lattice ◽  
Structure Calculations ◽  
Graphitic Plane ◽  
Ab Initio Electronic Structure

ABSTRACTAb-initio electronic structure calculations have been used to evaluate the binding energy of atomic and molecular hydrogen to graphite lattice defects. Results show that graphite defects (Stone- Wales, vacancy) are preferred binding sites with respect to regular lattice sites. We find that molecular hydrogen is physisorbed between the graphite planes, but cannot diffuse across a graphitic plane.

Ab Initio Study of Molecular Hydrogen Adsorption in Covalent Organic Framework-1

2009 ◽  
Vol 113 (19) ◽  
pp. 8498-8504 ◽  
Author(s):  
Pornjuk Srepusharawoot ◽  
Ralph H. Scheicher ◽  
C. Moysés Araújo ◽  
Andreas Blomqvist ◽  
Udomsilp Pinsook ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Hydrogen ◽  
Hydrogen Adsorption ◽  
Ab Initio Study ◽  
Covalent Organic Framework ◽  
Organic Framework
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