Engineering Analysis with Boundary Elements 152 (2023) 326–333

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Engineering Analysis with Boundary Elements

journal homepage: www.elsevier.com/locate/enganabound

Theoretical investigation of the mechanical properties of perovskite at

various environmental factors change for application in solar cells proposed
for green policy
Rafael Clemente Brito Cedeno, Jiuchang Wei *
School of Management, University of Science and Technology of China, 96 Jinzhai Rd., Hefei, Anhui 230026, People’s Republic of China

A R T I C L E I N F O A B S T R A C T

Keywords: The mechanical qualities of XSnI3(X=Cs, K, and Rb) perovskite structures have been computed using the
XSnI3 LAMMPS program via the molecular dynamics approach. When running simulations, the LAMMPS calculation
Molecular dynamics code is the basis for determining the mechanical properties. The stress-strain curves of the atomic structures are
Solar cell
presented for tests in the X, Y, and Z direction. The stress-strain curves were particularly computed using the
Environmental parameters
Green policy
loading technique and the deform command during the computational difficulties. Mechanical data was
retrieved by inducing deformation in the simulated structures. The stress-strain curves for the XSnI3(X=Cs, K,
and Rb) at various environmental parameters in the X, Y, and Z directions were also produced and compared
after applying maximum stress using a load. The studied atomic structures thus provided significant mechanical
properties for designing proficient perovskite solar cells proposed for green policy via the Molecular dynamics
simulation. Finally, by applying the CsSnI3, RbSnI3, and KSnI3 as the absorber layer in perovskite solar cell
device, the efficiency arrived at 22.29%, 22.67%, and 28.53%, respectively.

1. Introduction problems if it is ignored and no appropriate measures are taken [5–9].

International communities place a high priority on environmental
protection, and as a result, governments and organizations have begun
to consider sustainable development as a means to both make the most
of the planet’s finite natural resources and respect the rights of both the
current generation and those yet to come [1]. The usual practices of the
green economy, along with a disregard for the rights of future genera­
tions, will inevitably lead to the destruction of the environment and the
polluting of its resources [2]. To put it another way, the green economy
may act both as a tool for long-term development and as a solution to
issues on a global scale. At this point, sustainable growth is not a choice
but a promise made by all government and non-governmental organi­
zations to make every effort to develop a sustainable economy to allow a
move to a green economy. This commitment was made to ensure that
future generations would have the opportunity to live in a more envi­
ronmentally friendly world. Every civilization needs to pay attention to
natural resources to accomplish development and social happiness for
society, which may be realized by implementing a green economy [3,4].
Today, environmental issues and solar systems have become a signifi­
cant economic challenge for most of the country, which can cause severe
Derek Wall, who is known as a green economist, suggests the imple­
mentation of a "green policy" to prevent the destruction of the envi­
ronment of a country [10]. This green policy is not necessarily
synonymous with the policies of green parties in modern countries, but
its scope of action is beyond these parties. He introduces the pillars of
green policies that guarantee a country’s bright economic future in four
cases [11]: ecosystem, Which is considered the central and focal pillar of
green policies. Social justice; The destruction of the environment should
not conflict with the interests of the lower classes. Democracy from
below; Mobilizing people and supporting non-governmental organiza­
tions to protect the environment, peaceful activities; Actions and pol­
icies should be free from promoting any violence in the society. It has
been estimated that the installed and operational solar cells around the
globe, of which more than 85% are composed of silicon, generate a total
of one hundred gigawatts of usable electrical power. From what has
been said so far, it should be no surprise that this energy will continue to
rise over the next several years [12–15]. Silicon solar cells are currently
the most efficient kind of solar cell that can be manufactured. As a result
of the availability of silica in the earth’s crust, it is anticipated that sil­
icon solar cells will have a competitive price point in the future [16]. In

* Corresponding author.
E-mail address: Weijc@ustc.edu.cn (J. Wei).

https://doi.org/10.1016/j.enganabound.2023.04.017
Received 6 March 2023; Received in revised form 3 April 2023; Accepted 13 April 2023
Available online 24 April 2023
0955-7997/© 2023 Elsevier Ltd. All rights reserved.
R.C.B. Cedeno and J. Wei
contrast to what most people believe, transforming silicon into a solar
cell is incredibly costly and consumes a significant amount of power. As
a result, one should anticipate a more extended period necessary for the
investment to be recouped in cells of this sort [17–19].
Physical variables such as temperature, moisture, and oxygen reduce
the stability and efficiency of perovskite solar cells [20,21]. One viable
solution for overcoming the stability challenge in these compounds is
the creation of layered structural (2D) forms of perovskite materials. The
considerable atomic flexibility of 2D perovskite materials accounts for
their excellent atomic stability [22,23]. Furthermore, Sabetvand et al.
used the density functional theory method to conduct a detailed enquiry
into the electrical and optical characteristics of the CH3NH3SnI3 pe­
rovskites. The optical results indicated that the atomic CH3NH3SnI3
perovskites were sound absorbers for producing environmentally
friendly and stable perovskite-based solar cells [24–28]. Because of the
impacts of the environment, the mechanical qualities of any material
that may be used to make semiconductors are critical. Temperature
swings produce ongoing thermal stresses, which must always be kept
below the material’s permissible threshold [29]. More seriously, the
wind stresses tend to be severe and cause cracks in the material. When
perovskite structures are used as photoactive areas in solar cells, it is
vital to analyse the structure’s mechanical behavior from a mechanical
point of view. This is because perovskite structures are a relatively new
kind of material. Therefore, precise estimates, such as the maximum
ambient pressure that solar cells can withstand based on their atomic
composition, may be calculated so that these factors can be considered
during the manufacturing and maintenance of solar cells. Studies on the
mechanical properties shown by the perovskite structure may provide
clues about the material’s capacity to endure temperature variations.
Because solar cells are continually exposed to sunlight, so thermal
studies are considered very important [30–33].
Perovskite materials have been linked to various battery uses, most
notably as catalysis materials and electrode materials in rechargeable
Ni–oxide, Li–ion, and metal–air batteries. Perovskite materials have also
been used in other battery applications. Because perovskite materials
typically present reversible electrochemical behavior, high natural
abundance, facile synthesis, low price, and environmental benignity,
numerous perovskite compositions have been studied on the technolo­
gies mentioned earlier. This is primarily because perovskite materials
can be found in abundance in nature [34–36].
The lithium-sulfur, or LiS, the battery has emerged as a leading
contender for the role of next-generation rechargeable cell technology.
Nevertheless, the capacity, rate performance, and cycle life of LiS cells
are significantly reduced by the transport of lithium polysulfides (LiPSs)
and the slow kinetics in the random deposition of lithium sulphides
(Li2S). Throughout this work, perovskite nanoparticles are suggested for
use as a promoter to immobilise LiPSs and direct the deposit of Li2S
inside a Li-S cell [37–39].
Feng studied the mechanical properties of computations based on the
"first principle" applied to hybrid organic-inorganic perovskites. All the
elastic constants were calculated, and the mechanical and structural
characteristics were analysed in three phases: cubic, tetragonal, and
orthorhombic [40–43]. In Roknuzzaman et al.’s study, the first princi­
ples for calculating Pb-free organic-inorganic hybrid perovskites had
density functional theory applied to them so that researchers could
investigate their structural, electrical, optical, and mechanical charac­
teristics [43]. However, this computation method is complicated and
costly to study the material properties [44], so the simulation method
will be improvised.
The simulation technique known as molecular dynamics is an
important one for analysing the interaction and dynamic transformation
of structures at the atomic scale, mainly while they are in solvents. This
can be done by studying the structures’ deformation mechanisms,
thermal stability, the formation of hollow structures, and structural and
morphological transitions [45–47]. It is a simple program with small
amounts of calculation and an extensive calculatable atomic system. As
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Engineering Analysis with Boundary Elements 152 (2023) 326–333
a result, molecular dynamics has been used to characterize perovskite
systems in various ways, including describing charge localization and
related deformation and forming stable and crystalline embryonic
organic halide CH3NH3PbI3 perovskite units [47–50].
In this paper, the mechanical characteristics of perovskite structures,
such as Young’s modulus and ultimate strength, were investigated using
the molecular dynamics simulation approach, which was carried out
using the LAMMPS program. Perovskite structures made of CsSnI3,
RbSnI3, and KSnI3 were subjected to tensile stresses in the X, Y, and Z
axes, and the effects of temperature and pressure on the mechanical
characteristics of these structures were investigated. The results
described an improved stability and service life of photovoltaic devices
in varying environmental conditions since these materials are practi­
cally the active zones of solar cells.
2. Green policy
A green budget is a policy innovation that can act as a tool to help
map and systematically track projects, costs and expenses that can
innovate in existing projects and identify periodic and periodic financial
needs. Dorfleitner et al. Continuous support to achieve green goals,
including climate and environmental dimensions [51]. Allen et al. all
forms of life and economic activity, clean drinking water supply, clean
air, fertile soil, various species, etc., depend on intact natural resources.
Therefore, there is a direct relationship between the risk of poverty and
environmental conditions. A look at situations worldwide makes it clear:
The safety of many families and small communities is based on
self-sufficiency forms such as livelihood agriculture [52]. This economic
activity depends directly on healthy ecosystems and a sustainable
climate that protects biodiversity. Therefore, a resilient environment is a
prerequisite for sustainable income, social cohesion, peace and coop­
eration worldwide.
Berry et al. Environmental pollution that affects human health can be
identified through environmental policies (green) environmental
monitoring and reduced environmental policy measures. For example,
environmental protection measures ensure that the materials to the
environment are minimized and dangerous. This can prevent environ­
mental effects on human health as much as possible. The interactions
between climate change or traffic growth, on the one hand, and envi­
ronmental pollution related to health, on the other hand, have been
widely studied. However, the benefits and challenges facing health-
related environmental protection in the form of green policies for a so­
ciety still need to be sufficiently recognized [53].
With increasing awareness of climate and biodiversity crises, inter­
national visitors and environmentalists are increasingly investing in
countries that keep their coasts clean and require their hotels to have
less waste., Value. Many tourists prefer to avoid seeing the pristine
beaches full of plastic waste, while hotels continue to use and dispose of
disposable plastics, wastewater and food. Locals are also suffering
continuous contamination and wastage of natural resources of everyday
life have affected many of the island’s residents.
Although the implementation of such policies seems complicated
and time-consuming for some countries, it should not be forgotten that
the economic future and survival of a country depending on the envi­
ronment of that country, and appropriate measures and policies should
be implemented until this super challenge does not create more
comprehensive problems for the country. Solar cells are the components
made of solid state that is responsible for converting the energy from the
sun into electricity. This technique of converting energy has several
benefits, one of which is that it does not result in the generation of
compounds that are detrimental to the environment. In addition, the
resources linked with this kind of energy are not restricted in any way
[54–56].
R.C.B. Cedeno and J. Wei Engineering Analysis with Boundary Elements 152 (2023) 326–333

Fig. 1. Atomic structures of (A) CsSnI3, (B) KSnI3, and (C) RbSnI3 perovskites.

3. Molecular dynamic simulation details

Table 1
Lenard–Jones potential constants are used to calculate the force field coefficients
To carry out molecular dynamics simulations, the principal or system
of XSnI3 (X=Cs, K, and Rb) atomic structure.
structure is selected as the initial point of calculation, denoted by the
Atom σ (Å) ε (kcal/mol) rc (Å) notation t = 0. For most molecular dynamics algorithms, this starting
Cs 4.025 0.045 2.570 point refers to a single atom’s specific position at the simulation’s
K 3.397 0.035 1.953 beginning. The starting configuration of the system as well as its initial
Rb 3.666 0.040 2.260
velocity may be simply calculated by using data from proper experi­
I 4.50 0.330 1.380
Sn 4.39 0.560 1.390 ments, theoretical models, or a mix of the two kinds of models required.
To put it another way, the "beginning point" that will be provided may

Fig. 2. Stress-strain curve of CsSnI3, RbSnI3, and KSnI3 in; (A) X, (B) Y, and (C) Z.

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R.C.B. Cedeno and J. Wei
Fig. 3. Young’s modulus of XSnI3(X=Cs, K, and Rb) in; (A) X, (B) Y, and (C) Z.
Table 2
Calculated Young’s modulus Y (GPa) of the XSnI3(X=Cs, K, and Rb) perovskite
structure.
Material YX YY YZ
CsSnI3 1.361 1.368 1.351
KSnI3 0.516 0.828 0.636
RbSnI3 0.131 0.150 0.171
be reached by theoretical calculations and experiments; nonetheless, the
precision of this location is regarded as being of the utmost importance.
Because the simulation process must be of high quality, picking a
beginning point with high accuracy must be done.
The selection of the boundary conditions is the next significant stage
in the simulation. Periodic and fixed examples are the two most
important ones that establish boundary limitations in the domain we are
researching [57,58]. With the help of specified boundary conditions, the
dimensions in all three planes are used to calculate the size of the atomic
structure. After selecting periodic boundary conditions, the atomic
system is made to repeat in the chosen direction. Periodic boundary
conditions make the simulation of relatively tiny quantities of atoms
possible, which enables researchers to investigate the larger-scale
physical characteristics of the substance. Every way you look, atoms
and protocells contribute to the formation of periodic groupings. To
achieve the goal of energy optimization in atomic structures, a variety of
approaches, each with its own set of advantages and disadvantages,
have been devised. The conjugate gradient technique (CG) was chosen
as the strategy for energy optimization.
In simulations involving temperature regulation, molecular dy­
namics simulations have it set up such that the starting temperatures of
each atom in the simulation box directly correlate to the initial atomic
velocities. In successive simulations, the Newtonian equations of motion
are used to produce predictions about the velocities, and these pre­
dictions are then used. As the molecular dynamics simulation starts, the
new velocity for each atom is calculated as the temperature is adjusted.
At the same time, a new speed is being acquired. This operation will
continue until the temperature of the atomic system has been brought up
to the appropriate level. By exerting control over the rate at which the
atomic components oscillate and move, it is possible to keep the tem­
perature of the atomic structure at a constant level. The simulation
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Engineering Analysis with Boundary Elements 152 (2023) 326–333
continues with business as usual when the essential modifications to the
temperature of the atomic structure have been made. During this stage,
the system’s behavior is governed by the structure’s form and other
physical parameters such as pressure, temperature, and energy. The
moment at which the simulated atomic system has reached equilibrium
may be determined, from a computational standpoint, when the
behavior of the atomic structure concerning the time step demonstrates
a satisfactory level.
In molecular dynamics simulations, the interaction between atoms is
defined by atomic potentials (force fields), divided into bond and non-
bond potentials. The fact that atoms may exist in space results in the
development of potentials unrelated to bonding in any way. The pro­
duction of bond potentials is the consequence of establishing inter­
atomic bonds within a collection of atoms with a certain structure.
Angular bonds, single bonds, and dihedral interactions are the three
different categories that may be used to classify bond potentials. The
accuracy of the interaction potential between the molecules and atoms
largely impacts the precision of the calculation findings.
The Lennard-Jones potential describes the non-bonded interactions
within the framework of the atomic structure of perovskites. This is
possible due to the relative flexibility of the researched perovskite ma­
terial, as well as the comparatively weak forces between the molecules
and atoms [18]. The potential functional was first developed to describe
the intermolecular forces present in inert gases. In addition to this, it has
also been used to express cubic body-centred transition group metal
crystals, the expression of which may be found in Eq. (1) [59,60].
[( ) ( )]
σ 12
σ 6
U(r) = 4ε − (1)
rij rij
Where σ is the distance between the particles, ε the potential well
depth, is the distance at which the interatomic potential becomes zero,
and is the finite distance between the particles. In the angular and mo­
lecular dynamics simulation direct bonding interactions, the parameters
of the program are determined using a straightforward oscillator for
coordinates, as described in Eqs. (2) and (3) [59,60].
1
E = Kr (r − r0 )2 (2)
2
1
E = Kθ (θ − θ0 )2 (3)
2
R.C.B. Cedeno and J. Wei Engineering Analysis with Boundary Elements 152 (2023) 326–333

Fig. 4. The influence of temperature on the level of stress of XSnI3(X=Cs, K, and Rb) in the;(A-C)X, (D-F) Y, and(G-I)Z axes.

r0 and θ0 indicate the interatomic distance and the equilibrium Angle
in a molecular dynamics simulation. The structure and thermodynamic
equilibrium of perovskite materials were investigated within the com­
puter simulation framework. The structures of the perovskites CsSnI3,
RbSnI3, and KSnI3 that were simulated are shown in Fig. 1. this atomic
structure’s approximation was achieved using UFF and Dreiding from a
computational standpoint [59,60]. These force fields are capable of
imitating a diverse range of atomic structures with an impressive degree
of precision. The coefficients for bonding and non-bonding interactions
are broken down and shown in Table 1 (A-C), as specified in the utilized
force fields in the numerical simulations of XSnI3(X=Cs, K, and Rb).
4. Results and discussion
4.1. Properties relating to mechanics of CsSnI3, RbSnI3, and KSnI3
perovskite materials
We utilized the LAMMPS program to simulate the molecular dy­
namic system of CsSnI3, RbSnI3, and KSnI3 perovskite architectures to
confirm the simulated atomic structures were in a state of thermody­
namic equilibrium. The molecular dynamics method computed CsSnI3,
RbSnI3, and KSnI3 perovskite structures’ respective mechanical char­
acteristics. The LAMMPS program relies on the loading technique and
the deformation instructions as the foundation for its simulation of the
mechanical characteristics. We used this strategy to simulate the initial
length by basing it on the dimensions of the box. The next stage involves
stretching the structure, after which the instantaneous length of the
structure is included in the strain equation. If the amount of stress or
load being applied is known, then the value of the specified structural
strain may be determined by using the calculation code. This is required
for this to be possible. Before the stress Eq. (4) and the strain Eq. (5) can
be used in the LAMMPS program to illustrate the stress-strain curve, a
variable must first be defined in the program [44], to compute the strain
that is being produced in the atomic structure.
F
σ= (4)
A
δ
ε= (5)
L
Where σ represents the stress, F represents the applied load, A rep­
resents the stressed region, ε represents the strain, and δ means the
elongation. L represents the length at the beginning of the calculation.
The creation of stress-strain curves was made possible by applying me­
chanical tensile loads on perovskite structures that were simulated using
the method of molecular dynamics. A low vacuum is created at a tem­
perature of 300 K and a pressure of 1 bar. The tensile loads were applied
to CsSnI3, RbSnI3, and KSnI3 perovskite materials in different directions.
Plots were made using the values corresponding to the stretch of the
structure of perovskite in the X, Y, and Z axes obtained. As detailed in
Fig. 2, it is possible to make educated guesses about the perovskite
materials’ mechanical characteristics. Fig. 3 and Table 2 show Young’s
modulus for the stretch of CsSnI3, RbSnI3, and KSnI3 in the X, Y, and Z
axes. On the subject of perovskite materials that are not layered and the
mechanical properties of such materials, these values are much lower
than those that were determined from the prior calculation and exper­
imental research [24]. This demonstrates that thin-film perovskite ma­
terials have undergone a shift in mechanical characteristics and have
exceptional flexibility. When put under tensile stress, thin-film perov­
skite materials are prone to undergo easy deformation. This is something

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R.C.B. Cedeno and J. Wei Engineering Analysis with Boundary Elements 152 (2023) 326–333

Fig. 5. Influences of pressure on the stress of XSnI3(X=Cs, K, and Rb) in the;(A-C)X, (D-F) Y, (G-I) Z.

Fig. 6. (A) Schematic depiction of the proposed PSC alignment; (B) J-V curve for PSC with an absorber layer of XSnI3(X=Cs, K, and Rb).

that should be kept in mind. The active zone of a solar cell is resistant to life. In the current investigation, proper interatomic interactions were
faults or fractures when the glass substrate of the cell is distorted. This chosen to acquire relevant findings, and appropriate assignment of
contributes to improving the cell’s durability and lengthening its useful atomic locations was carried out to carry out simulations of perovskite

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R.C.B. Cedeno and J. Wei Engineering Analysis with Boundary Elements 152 (2023) 326–333

Table 3 as shown in Fig. 5. From the figures, the stress generated by the defor­
The properties of various perovskite materials. mation of the materials increases at low pressure and decreases at high
Materials TiO2 KSnI3 CsSnI3 RbSnI3 PTAA pressure. Thus, increasing the pressure reduces the limit of the strength
of the material.
Thickness 200 600 600 600 100
(nm) Applying XSnI3(X=Cs, K, and Rb) in perovskite solar cell devices
NA (cm− 3) – – – – 1019 suggests that the characteristic optical suits solar-powered applications.
ND (cm− 3) 1× – – – – Finally, the SCAPS tool was utilized to show the relationship between
1016 nano-structures employed in current research and their applicability in
εr 9 10.40 9.93 9.93 3.50
χ (eV) 3.90 3.44 4 4 2.30
real-world situations. We design a planar perovskite solar cell (PSC) with
Eg (eV) 3.20 1.84 1.30 1.865 2.60 a total thickness of 1 µm. A theoretical approximation for the design
μn (cm2/V/s) 2 × 101 21.28 1500 1500 10− 3 described in Fig. 6(A) illustrated the perovskite solar cell device struc­
μp (cm2/V/s) 1 × 101 19.46 585 585 10− 4 ture. The J-V curve was presented and compared in Fig. 6(B) and Ta­
Nt (cm− 3) 1015 1 × 1015 1 × 1018 1 × 1018 1015
bles 3 and 4. In this simulation, we estimated the electrical
NC (cm− 3) 1× 2.2 × 2.2 × 2.2 × 2.20 ×
1018 1018 1018 1018 1018 characteristics of the XSnI3(X=Cs, K, and Rb) layer employed as an
NV (cm− 3) 1× 1.8 × 1.8 × 1.8 × 1.80 × absorber layer in a perovskite-based solar cell system. Our simulation
1018 1019 1019 1019 1019 findings indicated that the efficiency of CsSnI3, RbSnI3, and KSnI3 ma­
terials was 22.29%, 22.67%, and 28.53%, respectively, while the fill
factor was 86.38%, 72.83%, and 80.18%. A mixed halide perovskite
Table 4 composition is advantageous when producing gentler solar cells in the
The characteristics of various perovskite materials. environment.
Materials Voc(V) Jsc (mA/cm2) FF(%) PCE(%)
5. Conclusion
PTAA/CsSnI3/TiO2 1.483 17.402 86.38 28.29
PTAA/RbSnI3/TiO2 0.627 49.570 72.83 22.67
PTAA/KSnI3/TiO2 0.934 38.087 80.18 28.53 Using molecular dynamics computer simulations allowed for inves­
tigating the perovskites XSnI3 (where X = Cs, K, and Rb) and their
theoretically predicted mechanical characteristics. We determined the
structures. The atomic modelling method was thus accurate. stress-strain behavior of XSnI3 perovskites by subjecting them to a pre­
scribed tensile load. X may stand for either Cs, K, or Rb. The Young’s
3.2. Perovskite’s sensitivity to changes in temperature and pressure and modulus of the perovskites CsSnI3, KSnI3, and RbSnI3 ranged from
how such changes affect its mechanical behavior 1.361, 0.516, and 0.131 GPa, respectively. These values are considered
to be significant. At the same time, the maximum stress of CsSnI3, KSnI3,
Because perovskite solar cells are frequently subjected to a climate in and RbSnI3 perovskites was 6.45 GPa, 2.07 GPa, and 0.516 GPa, in X
which there is a discernible drop in temperature between the daytime direction, 6.522 GPa, 3.41 GPa, and 0.592 GPa, in Y direction, and
and the night-time temperatures, it must be essential that the continual 6.379 GPa, 2.551 GPa, and 0.674 GPa. In addition, temperature and
thermal stress that is a direct result of the never-ending temperature pressure’s influence on the mechanical characteristics of perovskite
changes be kept within the allowed limitations of the material. Thus, the materials was investigated. According to the findings, at these temper­
study of their mechanical properties. To simulate within this discrep­ atures, the perovskite material reaches its full potential in terms of its
ancy, the temperature is varied to demonstrate the upper and lower ultimate strength. Thus, these factors are practically highly imperative
bounds of the intensity at each temperature. An accurate determination and should be fully considered. In conclusion, simulation results CsSnI3,
of the maximum ambient pressures that a particular atom-rich solar cell KSnI3, and RbSnI3 perovskite structures have shown to have excellent
material can resist may be made by analysing the mechanical charac­ mechanical characteristics, and there is a significant possibility that they
teristics of such structures and the subsequent computation of the re­ might be used to fabricate very stable perovskite solar cells.
sults. These calculations have to be taken into consideration before, Since the Dominican Republic’s Constitution is the country’s most
during, and after the building of the cell. Theoretical studies of the important legal instrument. The Constitution mandates the conserva­
mechanical properties of perovskite structures also express their ability tion, protection, and preservation of the environment and natural re­
to withstand temperature changes. Therefore, the effects of temperature sources and authorises the use of the environment and natural resources
on the XSnI3(X=Cs, K, and Rb) perovskite structures were investigated. sustainably. Solar cells are one of the environment-friendly devices; we
Comparisons were made between the stress-strain curves of the investigated the influence of pressure and temperature of this device.
perovskite atomic structures of CsSnI3, RbSnI3, and KSnI3 at tempera­
tures in the X, Y, and Z directions (Fig. 4). The higher the temperature, Declaration of Competing Interest
the lower the stress for each material under the same tensile strain;
however, stress is large at low temperatures. The maximum limit of the The authors declare that they have no known competing financial
tensile strength of XSnI3(X=Cs, K, and Rb) structure of perovskite in the interests or personal relationships that could have appeared to influence
X, Y, and Z axes occurs at a temperature of 270 K. Still, the formation of the work reported in this paper.
the lowest limit occurs at a temperature of 330 K, which is higher.
Perovskite solar cells are particularly susceptible to damage from the Data availability
surrounding environment, often resulting in material fractures. Because
the building that was previously suggested is intended to house solar Data will be made available on request.
cells that are open to the elements, we evaluated the impact of wind by
mimicking wind speed via variations in pressure. To investigate the ef­
fect that pressure has on the perovskite structures of XSnI3 (where X = Acknowledgment
Cs, K, and Rb), pressures of 100 MPa and 200 MPa were applied in the X,
Y, and Z directions, respectively. This was done to study the relationship The authors appreciate the contributions from CAS-TWAS to this
between pressure and maximum stress, also known as the strength limit. research.
To simulate and calculate the corresponding stress-strain curves. These
were then compared with the results under low vacuum pressure (1 bar),

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R.C.B. Cedeno and J. Wei Engineering Analysis with Boundary Elements 152 (2023) 326–333

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