Solid State Communications 145 (2008) 168–172

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Applications of single-layered graphene sheets as mass sensors and

atomistic dust detectors
A. Sakhaee-Pour a,∗ , M.T. Ahmadian a , A. Vafai b
a Center of Excellence in Design, Robotics and Automation (CEDRA), Department of Mechanical Engineering, Sharif University of Technology, Tehran, Iran
b Department of Civil Engineering, Sharif University of Technology, Tehran, Iran

Received 23 May 2007; received in revised form 18 October 2007; accepted 21 October 2007 by E.G. Wang
Available online 30 October 2007

Abstract

Molecular structural mechanics is implemented to model the vibrational behavior of defect-free single-layered graphene sheets (SLGSs) at
constant temperature. To mimic these two-dimensional layers, zigzag and armchair models with cantilever and bridge boundary conditions are
adopted. Fundamental frequencies of these nanostructures are calculated, and it is perceived that they are independent of the chirality and aspect
ratio. The effects of point mass and atomistic dust on the fundamental frequencies are also considered in order to investigate the possibility of
using SLGSs as sensors. The results show that the principal frequencies are highly sensitive to an added mass of the order of 10−6 fg.
c 2007 Elsevier Ltd. All rights reserved.

PACS: 43.40.+s; 46.40.-f; 62.30.+d

Keywords: A. Thin film; A. Single-layered graphene sheet (SLGS); D. Mass sensor; D. Dust detector

1. Introduction element technique was also implemented to study mode shapes

In recent years, carbon nanotubes (CNTs) have been inves-
tigated to achieve high level performance and sensitivity at the
nanoscale [1]. Wood and co-workers [2,3] implemented Raman
frequencies of CNTs to monitor pressure and strain. To enhance
the resolution of surface imaging, the feasibility of using these
nanostructures was assessed by Dai et al. [4]. Applying CNTs,
Wood and colleagues [5] investigated mass measurement exper-
imentally, and a high level of accuracy, 22 fg, was observed. Li
and Chou adopted an atomistic modeling, molecular structural
mechanics [6], to explore the vibrational attributes of CNTs [7,
8]. They further used bridge and cantilever single-walled carbon
nanotubes (SWCNTs) as sensors to detect point mass [9]. At
constant temperature, it was predicted that SWCNTs have the
capability of mass detection of the order of 10−6 fg. In another
research, they examined the possibility of applying SWCNTs as
strain and pressure sensors [10]. By calculating the fundamen-
tal frequency shifts in terms of axial and radial deformations,
they estimated the imposed strains. The continuum-based finite
∗ Corresponding author. Tel.: +98 21 66165503; fax: +98 21 66000021.
E-mail address: sakhaee@mech.sharif.edu (A. Sakhaee-Pour).
and resonant frequencies of the cantilever SWCNTs as mass
detectors by Wu et al. [11].
Since the fabrication of single-layered graphene sheets
(SLGSs) is not amenable experimentally, fewer investigations
have been undertaken. Peculiar electronic transport proper-
ties of these two-dimensional layers have been explored re-
cently [12,13]. Meyer et al. [14] focused on graphene sheets that
were suspended on a micro-fabricated scaffold. They achieved
the ability of distinguishing between single- and multi-layered
graphene sheets via analyzing electron diffraction.
Stankovich et al. [15] developed a process of obtaining
SLGSs from graphite. This method introduces the SLGSs as an
industrial preference to the much more expensive CNTs. Appli-
cation of these two-dimensional layers is urging scientists to de-
velop reliable physical and/or mechanical properties. The phys-
ical and electrical characteristics of these one-atom thick layers
have been investigated by different researchers [16–18], while
the mechanical properties are not addressed well in the litera-
ture. Naghdabadi et al. [19] adopted a continuum-based method
to explore the vibration of a multi-layered graphene sheet
(MLGS) embedded in an elastic medium. They further pro-
posed an analytical approach to predict the bending modulus of

c 2007 Elsevier Ltd. All rights reserved.

0038-1098/$ - see front matter
doi:10.1016/j.ssc.2007.10.032
 A. Sakhaee-Pour et al. / Solid State Communications 145 (2008) 168–172 169

an MLGS [20]. Kitipornchai and co-workers studied the free vi-

brational characteristics of MLGSs via a continuum model [21].
Also, they investigated the vibrational behavior of multi-
layered graphene sheets embedded in an elastic matrix [22].
In this paper, the fundamental frequency variation of
defect-free SLGSs at constant temperature is obtained. In
this regard, zigzag and armchair SLGSs with cantilever and
bridge boundary conditions are simulated by the molecular
structural mechanics. In order to explore the possibility of
applying the SLGSs as sensors, the effects of point mass
and atomistic dust on the fundamental frequencies are also
considered. In the adopted atomistic modeling, carbon atoms
of the graphene lattice are simulated via equivalent structural
beams and concentrated masses.

2. Atomistic modeling of a single-layered graphene sheet

To investigate the vibrational behavior of SLGSs, a molec-

ular structural mechanics method is applied. In this atomistic
modeling, equivalent structural beams and concentrated masses
are used to simulate carbon atoms which are connected via co-
valent bonds.
By considering the equivalent potential energies of the
molecular and structural mechanics, the properties of the beam
are developed. To calculate the properties of the beam, the force
field constants of the covalent bonds are used as follows:
EA EI GJ
= kr , = kθ , = kφ (1)
L L L
where the force field constants kr , kθ , and kφ represent
stretching, bending and torsional stiffness of the covalent
bonds, respectively, while E and G denote moduli of elasticity
and shear of the beam, respectively. Moreover, A is the cross-
sectional area, I , the moment of inertia, J , the polar moment,
and L the length of the beam. The length of the beam is assumed
to be equal to the covalent distance of the atoms in the graphene
lattice. Specific parameters of the beam with a circular cross
section could be obtained from the previous equation as
s
kθ
d=4
kr
kr2 L (2)
E=
4πkθ
kr2 kφ L
G=
8π kθ2
where d is the cross-sectional diameter of the beam. In molec-
ular structural mechanics, interatomic forces of the bonded car-
bon atoms are modeled by the equivalent structural beams.
By considering radii of the carbon nuclei negligible (rc =
2.7 × 10−5 A), concentrated masses are adopted to simulate
carbon atoms. The concentrated masses with the carbon nuclei
masses (m c = 1.9943 × 10−23 g) are positioned at the ends
of the beams, representing joints of the covalent bonds. It is
assumed that the masses of the electrons are not significant in
comparison with the nuclei.
Fig. 1. Schematic illustration of zigzag and armchair SLGSs with cantilever
and bridge boundary conditions.
Table 1
Force field constants of the covalent bonds
kr 6.52e–7 N nm−1
kθ 8.76e–10 N nm rad−2
kφ 2.78e–10 N nm rad−2
In the molecular structural mechanics technique, SLGSs
are modeled as space-frame structures. Overall mass and
stiffness matrices of the molecular structural mechanics models
are generated from the equivalent matrices of the beams [7]
and concentrated masses [8]. The overall mass and stiffness
matrices are used to write equation of motion as follows:
[M]{ ÿ} + [K ]{y} = {0} (3)
where {y} and { ÿ} represent position and acceleration vectors of
the atoms, respectively. Moreover, [M] and [K ] are the overall
mass and stiffness matrices, respectively.
By imposing harmonic vibration, eigenvalues are calculated
from the overall stiffness and mass matrices. Fundamental
frequencies of the SLGSs are obtained from the minimum
eigenvalues. Then, to assess the feasibility of applying
these two-dimensional layers as mass sensors and atomistic
dust detectors, changes of the fundamental frequencies with
different mass distributions are studied, i.e. point mass and
uniformly distributed atomic scale particles. Effects of the
added masses to the system are implemented through the
adaptation of the overall mass matrix [9], and frequency shifts
are evaluated, respectively.
Chirality plays a significant role in the mechanical behavior
of nanostructures. In this regard, zigzag and armchair models
with cantilever and bridge boundary conditions are considered.
Fig. 1 shows SLGSs of dimension parameters a and b with an
aspect ratio of ab . In this study, side parameters are presented
in nm; however, they may also be defined via lattice translation
vector [23].
170 A. Sakhaee-Pour et al. / Solid State Communications 145 (2008) 168–172
Fig. 2. Fundamental frequencies of cantilever SLGSs versus side length at
distinct aspect ratios.
Fig. 3. Fundamental frequencies of bridge SLGSs versus side length at distinct
aspect ratios.
3. Results
The force field constants [24] given in Table 1 are used
for vibrational analysis of the defect-free cantilever and bridge
SLGSs. Fundamental frequencies of these two-dimensional
layers versus side length, a, at distinct aspect ratios are
demonstrated in Figs. 2 and 3. The results for SLGSs with fixed
length show that the fundamental frequencies are insensitive to
the chirality and aspect ratio. Moreover, these frequencies vary
nonlinearly with the side length. It should be noted that the high
magnitude of the fundamental frequencies – 1.5 GHz–2.9 THz
– would suggest one-atom-thick layers as ideal nanomechanical
resonators. The extraordinary frequency resonators are essential
parts of the scanning probes.
The feasibility of applying SWCNTs as point mass sensors
was assessed by Li and Chou [9]. By evaluation of the
principal frequency shifts in terms of the added point mass,
they estimated the magnitude of the attached particle. In order
to compare the sensitivities of the SLGSs as point mass sensors
Fig. 4. Fundamental frequency changes of cantilever zigzag SLGSs with point
mass at the center of the free edge of the sheet for a = 10.2312 nm.
Fig. 5. Fundamental frequency changes of cantilever armchair SLGSs with
point mass at the center of the free edge of the sheet for a = 9.8450 nm.
with the SWCNTs, sheets with equivalent side lengths, a, are
considered (see Fig. 1).
Cantilever zigzag and armchair SLGSs with side lengths
10.2312 nm and 9.8450 nm, respectively, are selected as
benchmarks to be compared with the SWCNTs. The added
point mass is attached to the center of the free edge, coinciding
with the corresponding atom. Therefore, modifying the related
components of the particular atom would adapt the overall
mass matrix. Changes of the fundamental frequencies versus
the added point mass for the armchair and zigzag models are
presented in Figs. 4 and 5. Molecular structural mechanics
analysis reveals that SLGSs have the capability of point mass
sensing of the order of 10−6 fg – the mass of 50 carbon atoms
– at which observable shifts in the principal frequency shifts
occur. Li and Chou predicted the same level of accuracy for
SWCNTs as mass sensors.
The effect of point mass on fundamental frequencies of
bridge SLGSs is also studied. For the equivalent sheets with
the same side parameters, a point mass is attached to the center
 A. Sakhaee-Pour et al. / Solid State Communications 145 (2008) 168–172
Fig. 6. Fundamental frequency changes of bridge zigzag SLGSs with point
mass at the center of the sheet for a = 10.2312 nm.
Fig. 7. Fundamental frequency changes of bridge armchair SLGSs with point
mass at the center of the sheet for a = 9.8450 nm.
of bridge zigzag and armchair models. Figs. 6 and 7 illustrate
the fundamental frequency shifts with respect to the added
point mass. Comparing the results of the added point mass
to the SLGSs with cantilever and bridge boundary conditions
shows that the changes of the frequencies in bridge boundary
conditions would be larger. However, it should be noted that
increasing the mass in the bridge and cantilever configurations
causes a reduction of the frequencies by the same order of
magnitude in comparison with their initial values. These figures
are principal tools for the point mass estimation.
One of the most rewarding applications of the nanostructures
is the detection of atomistic dust. In a dilute environment, in
which atoms are distributed uniformly with Brownian motion or
in an atomic stream, the atomistic dust detector can be used to
determine the density or the current of the atoms. In this regard,
the influence of atomistic dust – uniformly distributed atomic-
scale particles – attached to cantilever and bridge SLGSs on
the shifts of the fundamental frequencies are investigated. In
this case, the overall mass matrix is adjusted proportionally to
171
Fig. 8. Fundamental frequency changes of cantilever armchair SLGSs with
uniformly distributed atomistic dust for a = 9.8450 nm.
Fig. 9. Fundamental frequency changes of bridge armchair SLGSs with
uniformly distributed atomistic dust for a = 9.8450 nm.
calculate the fundamental frequency changes. Since chirality
has negligible impact on the fundamental frequency changes,
armchair models are considered (Figs. 8 and 9). It is perceived
that there exist sharp changes in the fundamental frequency
changes at the overall atomistic dust level of 10−6 fg.
For a fixed length SLGS with a certain distributed added
mass, the obtained results indicate that the shifted value in
the fundamental frequency would be larger as the aspect
ratio increases. Therefore, manufacturing a one-atom-thick
carbon layer with a larger aspect ratio could enhance the
sensitivity of the nanoscale sensor. This enables researchers
and manufacturers to design mass sensors and atomistic dust
detectors with different sensitivities.
4. Conclusion
Fundamental frequencies of defect-free zigzag and armchair
SLGSs with cantilever and bridge boundary conditions are
evaluated. It is perceived that the fundamental frequencies of
these nanostructures are in the range of 1.5 GHz–2.9 THz.
Furthermore, they decrease nonlinearly with increasing side
lengths of the sheets. The atomistic modeling also reveals that
172 A. Sakhaee-Pour et al. / Solid State Communications 145 (2008) 168–172

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