TY - JOUR
T1 - Electrical and photovoltaic properties of layered composite films of covalently bonded graphene and single-walled carbon nanotubes
AU - Slepchenkov, Michael M.
AU - Mitrofanov, Vadim V.
AU - Nefedov, Igor S.
AU - Glukhova, Olga E.
PY - 2020/4/1
Y1 - 2020/4/1
N2 - In this paper, we present the results of a computational study of the electrical and photovoltaic properties of a perspective composite material; that is, layered composite films of covalently bonded graphene and single-walled carbon nanotubes (SWCNTs). The purpose of the study is to identify the topological patterns in controlling the electrical and photovoltaic properties of mono-and bilayer graphene/CNT composite films with a covalent bonding of a nanotube and graphene sheet, using in silico methods. This in silico study was carried out for the super-cells of mono-and bilayer graphene/CNT composite films with the CNTs (10,0) and (12,0) at distances between the nanotubes of 10 and 12 hexagons. This found that the type of conductivity of the nanotubes does not fundamentally affect the patterns of current flow in the graphene/CNT composite films. This control of the diameter of the nanotubes and the distance between them allows us to control the profile of the absorption spectrum of the electromagnetic waves in the range of 20-2000 nm. The control of the distance between the SWCNTs allows one to control the absorption intensity without a significant peak shift. This revealed that there is no obvious dependence of the integrated photocurrent on the distance between the nanotubes, and the photocurrent varies between 3%-4%.
AB - In this paper, we present the results of a computational study of the electrical and photovoltaic properties of a perspective composite material; that is, layered composite films of covalently bonded graphene and single-walled carbon nanotubes (SWCNTs). The purpose of the study is to identify the topological patterns in controlling the electrical and photovoltaic properties of mono-and bilayer graphene/CNT composite films with a covalent bonding of a nanotube and graphene sheet, using in silico methods. This in silico study was carried out for the super-cells of mono-and bilayer graphene/CNT composite films with the CNTs (10,0) and (12,0) at distances between the nanotubes of 10 and 12 hexagons. This found that the type of conductivity of the nanotubes does not fundamentally affect the patterns of current flow in the graphene/CNT composite films. This control of the diameter of the nanotubes and the distance between them allows us to control the profile of the absorption spectrum of the electromagnetic waves in the range of 20-2000 nm. The control of the distance between the SWCNTs allows one to control the absorption intensity without a significant peak shift. This revealed that there is no obvious dependence of the integrated photocurrent on the distance between the nanotubes, and the photocurrent varies between 3%-4%.
KW - Absorption spectrum
KW - Current-voltage characteristics
KW - Density of electronic states
KW - Graphene/CNT composite films
KW - Integrated photocurrent
KW - Kubo-greenwood formula
KW - Molecular dynamics
KW - Photovoltaics
KW - SCCDFTB calculations
KW - Topological patterns
UR - http://www.scopus.com/inward/record.url?scp=85083823220&partnerID=8YFLogxK
U2 - 10.3390/coatings10040324
DO - 10.3390/coatings10040324
M3 - Article
AN - SCOPUS:85083823220
VL - 10
JO - Coatings
JF - Coatings
SN - 2079-6412
IS - 4
M1 - 324
ER -
