scholarly journals Thermal transport in van der Waals graphene/boron-nitride structure: a molecular dynamics study

2021 ◽  
Vol 136 (9) ◽  
Author(s):  
M. Sadegh Alborzi ◽  
Ali Rajabpour
Keyword(s):  
Molecular Dynamics ◽  
Boron Nitride ◽  
Thermal Transport ◽  
Van Der Waals

The Impact of Interlayer Rotation on Thermal Transport Across Graphene/Hexagonal Boron Nitride van der Waals Heterostructure

Nano Letters ◽  
2021 ◽  
Vol 21 (6) ◽  
pp. 2634-2641 ◽  
Author(s):  
Weijun Ren ◽  
Yulou Ouyang ◽  
Pengfei Jiang ◽  
Cuiqian Yu ◽  
Jia He ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Thermal Transport ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Van Der Waals Heterostructure ◽  
The Impact

Wettability of nanostructured hexagonal boron nitride surfaces: molecular dynamics insights on the effect of wetting anisotropy

2020 ◽  
Vol 22 (4) ◽  
pp. 2488-2497 ◽  
Author(s):  
Enrique Wagemann ◽  
Yanbin Wang ◽  
Siddhartha Das ◽  
Sushanta K. Mitra
Keyword(s):  
Molecular Dynamics ◽  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Layered Materials ◽  
Smart Surfaces

Nanostructured van der Waals (vdW) layered materials hold great potential for achieving smart surfaces with controllable wettability.

Stability and Dynamics of Boron Nitride Nanoscrolls

2011 ◽  
Vol 1307 ◽  
Author(s):  
Eric Perim ◽  
Douglas S. Galvao
Keyword(s):  
Molecular Dynamics ◽  
Boron Nitride ◽  
Van Der Waals ◽  
Critical Value ◽  
Van Der Waals Interactions ◽  
Formation Mechanisms ◽  
Elastic Deformations ◽  
Metastable Structures ◽  
Carbon Nanoscrolls ◽  
Molecular Dynamics Results

ABSTRACTWe report here molecular dynamics results for boron nitride nanoscroll structures (BNNSs) with relation to their stability and formation mechanisms. We show that, similarly to carbon nanoscrolls, BNNSs are stable due to van der Waals interactions among overlapping layers. The energy balance between losses and gains (due to elastic deformations and van der Waals interactions, respectively) when the structure is rolled up leads to the existence of a critical value of the internal scroll diameter where stable or metastable structures can be formed. The mechanisms of scroll formation and stability as a function of their chirality were also investigated.

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