Incommensurate van der Waals Epitaxy of Nanowire Arrays: A Case Study with ZnO on Muscovite Mica Substrates

Nano Letters ◽  
2012 ◽  
Vol 12 (4) ◽  
pp. 2146-2152 ◽  
Author(s):  
Muhammad Iqbal Bakti Utama ◽  
Francisco J. Belarre ◽  
Cesar Magen ◽  
Bo Peng ◽  
Jordi Arbiol ◽  
...  
2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Magdalena Birowska ◽  
Paulo E. Faria Junior ◽  
Jaroslav Fabian ◽  
Jens Kunstmann

2020 ◽  
Vol 22 (5) ◽  
pp. 2792-2802
Author(s):  
Gustavo Avila ◽  
Dóra Papp ◽  
Gábor Czakó ◽  
Edit Mátyus

A full-dimensional ab initio potential energy surface is developed and utilized in full-dimensional variational vibrational computations for the CH4·Ar van-der-Waals complex.


2008 ◽  
Vol 19 (22) ◽  
pp. 225601 ◽  
Author(s):  
Hongyu Sun ◽  
Xiaohong Li ◽  
Yan Chen ◽  
Wei Li ◽  
Feng Li ◽  
...  

2012 ◽  
Vol 24 (30) ◽  
pp. 4151-4156 ◽  
Author(s):  
Jun Pan ◽  
Muhammad Iqbal Bakti Utama ◽  
Qing Zhang ◽  
Xinfeng Liu ◽  
Bo Peng ◽  
...  

Author(s):  
Ana Cros ◽  
Saül Garcia-Orrit ◽  
Núria Garro ◽  
Oleksii Klymov ◽  
María José Recio-Carretero ◽  
...  
Keyword(s):  

2018 ◽  
Author(s):  
Tim Gould ◽  
Erin R. Johnson ◽  
Sherif Abdulkader Tawfik

Modern approaches to modelling dispersion forces are becoming increasingly accurate, and can predict accurate binding distances and energies. However, it is possible that these successes reflect a fortuitous cancellation of errors at equilibrium. Thus, in this work we investigate whether a selection of modern dispersion methods agree with benchmark calculations across several potential-energy curves of the benzene dimer to determine if they are capable of describing forces and energies outside equilibrium. We find the exchange-hold dipole moment (XDM) model describes most cases with the highest overall agreement with reference data for energies and forces, with many-body dispersion (MBD) and its fractionally ionic (FI) variant performing essentially as well. Popular approaches, such as Grimme-D and van der Waals density functional approximations (vdW-DFAs) underperform on our tests. The meta-GGA M06-L is surprisingly good for a method without explicit dispersion corrections. Some problems with SCAN+rVV10 are uncovered and briefly discussed.<br>


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