Accurate prediction of hydrogen storage capacity of small boron nitride nanocages by dispersion corrected semi-empirical PM6-DH2 method
A Kinal, S Sayhan - International journal of hydrogen energy, 2016 - Elsevier
In this study, we have studied endohedral hydrogen storage capability of several selected B
m N m nanocages (m= 12, 24, 36, 48 and 96) and their durability against hydrogen doping …
m N m nanocages (m= 12, 24, 36, 48 and 96) and their durability against hydrogen doping …
Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity
V Nasif, K Sayin - Chemical Physics, 2022 - Elsevier
The new structure for B 8 N 8 nanocage was revealed. This structure is completely different
from the known structure. The structural properties of investigated structures were …
from the known structure. The structural properties of investigated structures were …
Polynitrogen clusters encapsulated inside B24N24 fullerene-like nanocages: Nanoscale high energy materials studied by density functional theory
B Su, X Feng, X Guo, N Li - Inorganica Chimica Acta, 2017 - Elsevier
The complexes of polynitrogen clusters encapsulated inside oB 24 N 24 and sB 24 N 24
fullerene-like nanocages, Nn@ oB 24 N 24 and Nn@ sB 24 N 24, are predicted as …
fullerene-like nanocages, Nn@ oB 24 N 24 and Nn@ sB 24 N 24, are predicted as …
[PDF][PDF] Computational investigation of hydrogen storage capacity of boron nitride nanocages by newly developed PM7 method
S Sayhan, A Kinal - Asian Journal of Chemistry, 2015 - academia.edu
Employing the newly developed PM7 method, we have computationally investigated
endohedral hydrogen storage capacities of boronnitride based nanocages, BmNm (m= 12 …
endohedral hydrogen storage capacities of boronnitride based nanocages, BmNm (m= 12 …
Investigation of hydrogen storage capabilities related properties of various nano-materials by using computational chemistry methods
S Sayhan - 2019 - acikbilim.yok.gov.tr
In this thesis, hydrogen storage and related properties of nanostructures such as Boron
Nitride (BN), Aluminum Nitride (AlN) and Silicon Carbide (SiC) were investigated by using …
Nitride (BN), Aluminum Nitride (AlN) and Silicon Carbide (SiC) were investigated by using …