Bending Stiffness of a Double-Layered Graphene Sheet Using a Geometrically-Based Analytical Approach

2005 ◽  
Author(s):  
K. Behfar ◽  
R. Naghdabadi
Keyword(s):  
Potential Energy ◽  
Graphene Sheet ◽  
Material Property ◽  
Analytical Approach ◽  
Van Der Waals ◽  
Bending Stiffness ◽  
Van Der Waals Interactions ◽  
Atomic Spacing

In this article, the bending stiffness of a double-layered graphene sheet is investigated using a geometrically-based analytical approach. The analysis is based on the van der Waals interactions of atoms belonging to two neighboring sheets. The inter-atomic spacing between the adjacent layers is geometrically determined when the sheet is applied by a couple of moments in the opposite sides. The bending potential energy is obtained by summing up the potentials at discrete hexagons over the length and width of the sheet. It is observed that the bending stiffness of a double-layered graphene sheet does not depend on the length of the sheet and be a material property for the associated sheet.

scholarly journals The van der Waals interactions in rare-gas dimers: the role of interparticle interactions

2016 ◽  
Vol 18 (4) ◽  
pp. 3011-3022 ◽  
Author(s):  
Yu-Ting Chen ◽  
Kerwin Hui ◽  
Jeng-Da Chai
Keyword(s):  
Potential Energy ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Potential Energy Curves ◽  
Rare Gas ◽  
Interparticle Interactions ◽  
Nuclear Interactions

We investigate the potential energy curves of rare-gas dimers with various ranges and strengths of interparticle interactions (nuclear–electron, electron–electron, and nuclear–nuclear interactions).

scholarly journals Formation of Van Der Waals Complexes in Concerted Unimolecular Elimination Processes

2012 ◽  
Vol 2012 ◽  
pp. 1-7
Author(s):  
Faina Dubnikova ◽  
Assa Lifshitz
Keyword(s):  
Potential Energy ◽  
Transition State ◽  
Potential Energy Surfaces ◽  
Energy Levels ◽  
Van Der Waals ◽  
State Theory ◽  
Van Der Waals Interactions ◽  
Decomposition Products ◽  
Quantum Chemical Methods ◽  
Energy Surfaces

Potential energy surfaces for three unimolecular elimination reactions: , , and were calculated using a variety of quantum chemical methods. It was shown that, in all the three cases, the transition state in the first step of the reaction leads to the production of the complex intermediates based on van der Waals interactions. In addition to the fact that the three complexes appear as intermediates on the potential energy surfaces, which means that they are not free entities, the entropy values of the two elimination products are far above those of the complexes due to their additional Sackur-Tetrode entropy. Moreover, the three vibrational frequencies of the H2O group in the (CH3)3COH complex and the H–Cl and H–F stretch frequencies in CH3CF3 and CH3CH2CH2Cl are quite different (see the various tables). The energy levels of the complexes were found to be below those of the corresponding decomposition products. Rate constants for the elimination processes were calculated from the potential energy surfaces using transition-state theory and were compared to available experimental data.

Crystal Structures of Two New Cyclosporin Clathrates

2000 ◽  
Vol 65 (12) ◽  
pp. 1950-1958 ◽  
Author(s):  
Michal Hušák ◽  
Bohumil Kratochvíl ◽  
Ivana Císařová ◽  
Alexandr Jegorov
Keyword(s):  
Crystal Structures ◽  
Methyl Ether ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Solvent Molecules ◽  
Butyl Methyl Ether

Two isomorphous clathrates formed by dihydrocyclosporin A or cyclosporin V with tert-butyl methyl ether are reported and compared with the structures of related P21-symmetry cyclosporin clathrates. The cyclosporin molecules in both structures are associated via van der Waals interactions forming cavities occupied by solvent molecules (cyclosporin : tert-butyl methyl ether is 1 : 2).

Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex

2021 ◽  
Vol 154 (12) ◽  
pp. 124306
Author(s):  
Tao Lu ◽  
Daniel A. Obenchain ◽  
Jiaqi Zhang ◽  
Jens-Uwe Grabow ◽  
Gang Feng
Keyword(s):  
Spectroscopic Study ◽  
Disulfide Bond ◽  
Van Der Waals ◽  
Van Der Waals Interactions

scholarly journals Microscopic evidence of strong interactions between chemical vapor deposited 2D MoS2 film and SiO2 growth template

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Woonbae Sohn ◽  
Ki Chang Kwon ◽  
Jun Min Suh ◽  
Tae Hyung Lee ◽  
Kwang Chul Roh ◽  
...  
Keyword(s):  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Spherical Aberration ◽  
Van Der Waals ◽  
Chemical Vapor ◽  
Interface Layer ◽  
Van Der Waals Interactions ◽  
Strong Interactions ◽  
Transition Electron Microscopy ◽  
Oxide Substrates

AbstractTwo-dimensional MoS2 film can grow on oxide substrates including Al2O3 and SiO2. However, it cannot grow usually on non-oxide substrates such as a bare Si wafer using chemical vapor deposition. To address this issue, we prepared as-synthesized and transferred MoS2 (AS-MoS2 and TR-MoS2) films on SiO2/Si substrates and studied the effect of the SiO2 layer on the atomic and electronic structure of the MoS2 films using spherical aberration-corrected scanning transition electron microscopy (STEM) and electron energy loss spectroscopy (EELS). The interlayer distance between MoS2 layers film showed a change at the AS-MoS2/SiO2 interface, which is attributed to the formation of S–O chemical bonding at the interface, whereas the TR-MoS2/SiO2 interface showed only van der Waals interactions. Through STEM and EELS studies, we confirmed that there exists a bonding state in addition to the van der Waals force, which is the dominant interaction between MoS2 and SiO2. The formation of S–O bonding at the AS-MoS2/SiO2 interface layer suggests that the sulfur atoms at the termination layer in the MoS2 films are bonded to the oxygen atoms of the SiO2 layer during chemical vapor deposition. Our results indicate that the S–O bonding feature promotes the growth of MoS2 thin films on oxide growth templates.

Concisely modularized assembling of graphene-based thin films with promising electrode performance

2019 ◽  
Vol 3 (7) ◽  
pp. 1462-1470 ◽  
Author(s):  
Weiwei Wei ◽  
Rohit L. Vekariy ◽  
Chuanting You ◽  
Yafei He ◽  
Ping Liu ◽  
...  
Keyword(s):  
Thin Films ◽  
Graphene Oxide ◽  
Reduced Graphene Oxide ◽  
Double Layer ◽  
Van Der Waals ◽  
Cellulose Nanofibers ◽  
Van Der Waals Interactions ◽  
Electrode Performance ◽  
Reduced Graphene

Highly dense thin films assembled from cellulose nanofibers and reduced graphene oxide via van der Waals interactions to realize ultrahigh volumetric double-layer capacitances.

A comparison between approaches for the calculation of van der Waals interactions in flotation systems

2021 ◽  
Vol 167 ◽  
pp. 106804
Author(s):  
C. Weber ◽  
P. Knüpfer ◽  
M. Buchmann ◽  
M. Rudolph ◽  
U.A. Peuker
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Interactions
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