Studying temperature effects on electronic and optical properties of cubic CH3NH3SnI3 perovskite

Sabetvand, Roozbeh; Ghazi, M. E.; Izadifard, Morteza

doi:10.1007/s10825-020-01443-3

Cited by 60 publications

(22 citation statements)

References 45 publications

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“…Contrary to many studies, it is not known how the coronavirus interacts with the human environment, such as metallic structures. In this work, we study the coronavirus atomic interaction with metallic surfaces with MD [13][14][15][16][17][18]. Investigations are provided for the coronavirus and metallic…”

Section: Introductionmentioning

confidence: 99%

RETRACTED ARTICLE: Molecular dynamics performance for coronavirus simulation by C, N, O, and S atoms implementation dreiding force field: drug delivery atomic interaction in contact with metallic Fe, Al, and steel

Karimipour

Amini²,

Nouri³

et al. 2020

Comp. Part. Mech.

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Coronavirus causes some illnesses to include cold, COVID-19, MERS, and SARS. This virus can be transmitted through contact with different atomic matrix between humans. So, this atomic is essential in medical cases. In this work, we describe the atomic manner of this virus in contact with various metallic matrix such as Fe, Al, and steel with equilibrium molecular dynamic method. For this purpose, we reported physical properties such as temperature, total energy, distance and angle of structures, mutual energy, and volume variation of coronavirus. In this approach, coronavirus is precisely simulated by O, C, S, and N atoms and they are implemented dreiding force field. Our simulation shows that virus interaction with steel matrix causes the maximum removing of the virus from the surfaces. After 1 ns, the atomic distance between these two structures increases from 45 to 75 Å. Furthermore, the volume of coronavirus 14.62% increases after interaction with steel matrix. This atomic manner shows that coronavirus removes and destroyed with steel surface, and this metallic structure can be a promising material for use in medical applications.

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Section: Introductionmentioning

confidence: 99%

RETRACTED ARTICLE: Molecular dynamics performance for coronavirus simulation by C, N, O, and S atoms implementation dreiding force field: drug delivery atomic interaction in contact with metallic Fe, Al, and steel

Karimipour

Amini²,

Nouri³

et al. 2020

Comp. Part. Mech.

Self Cite

View full text Add to dashboard Cite

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“…ASnX 3 perovskites possess smaller lattice constants [ 16 ] owing to shorter radius of Sn 2+ (115 pm) compared with Pb 2+ (119 pm). [ 17,18 ] However, they still exhibit abundant phases like their Pb analogues, [ 19 ] including cubic, tetragonal, orthorhombic, monoclinic, and triclinic structures. [ 20 ] For example, cubic CsSnI 3 changes to tetragonal phase at 426 K and further turns into orthorhombic at 351 K. [ 21,22 ] MASnI 3 shows pseudo‐cubic structure at room temperature, tetragonal phase at 275 K and orthorhombic phase at low temperature of 108 K. [ 23 ] When the temperature is relatively high, the A site cations rotate randomly (dynamical disorder) and [SnX 6 ] 4− frameworks show perfect cubic symmetry.…”

Section: Theoretical Fundamentals Of Tin‐based Perovskitesmentioning

confidence: 99%

Recent progress toward highly efficient tin‐based perovskite (ASnX3) solar cells

2021

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Recently, lead halide perovskites have attracted great attention in photovoltaic field because of high power conversion efficiency. However, the toxicity of lead in perovskite can result in environment issues, which are the major challenge for commercial application. In this context, environmentally friendly lead‐free perovskite alternatives are highly desired. Bearing excellent photophysical and electronic properties, tin‐perovskites (ASnX3) are the most promising alternative. In reality, extensive efforts have been committed to the development of Sn‐based perovskite solar cells. In this review, we summarized the theoretical fundamentals of Sn‐based perovskites, including lattice, phases, molecular orbital, redox property, and defects. Then varieties of tactics to improve devices performance were detailed reviewed. Finally, perspectives on further research directions in improving Sn‐based solar cells performance are presented.

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“…The gained outcomes express that the viscosity value was higher than that of nanofluids. In addition to experimental methods, theoretical approaches can be used to atomic study of various structures [21][22][23][24]. Molecular Dynamics (MD) approach is widely implemented in the atomic and thermal behavior of nanostructures [25][26][27][28][29].…”

Section: A Nanostructure Is a Materials Of Intermediate Size Between Mmentioning

confidence: 99%

Molecular Dynamics Study of Nanoparticles/argon Atoms Size Effects on Atomic Aggregation Phenomena in Ideal Platinum Nanochannel Affected by the External Magnetic Field

Karimipour

2021

Preprint

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In this paper, the computational method is used to describe the atomic behavior of Fe3O4 nanoparticles size effect on these nanoparticles aggregation phenomena in ideal platinum nanochannel and in the presence of outer magnetic major. In this work molecular dynamics (MD) method used and argon atoms described as base fluid. Technically, for the interaction between base fluid atoms, we used Lennard-jones (LJ) potential, while the nanochannel wall and nanoparticle structures are simulated. To calculate the atomic behavior of simulated systems, we report temperature, total energy, and distance of nanoparticles center of mass (COM) and time of aggregation phenomena. Our MD simulation results show the Fe3O4 nanoparticle size is an important factor in aggregation phenomenon occur. Numerically, by enlarging the Fe3O4 nanoparticle size, the aggregation time of Al2O3 nanoparticles changes from 1.41 ns to 1.29 ns. Further, the external magnetic field can be delayed this atomic phenomenon effectively.

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Studying temperature effects on electronic and optical properties of cubic CH3NH3SnI3 perovskite

Cited by 60 publications

References 45 publications

RETRACTED ARTICLE: Molecular dynamics performance for coronavirus simulation by C, N, O, and S atoms implementation dreiding force field: drug delivery atomic interaction in contact with metallic Fe, Al, and steel

RETRACTED ARTICLE: Molecular dynamics performance for coronavirus simulation by C, N, O, and S atoms implementation dreiding force field: drug delivery atomic interaction in contact with metallic Fe, Al, and steel

Recent progress toward highly efficient tin‐based perovskite (ASnX3) solar cells

Molecular Dynamics Study of Nanoparticles/argon Atoms Size Effects on Atomic Aggregation Phenomena in Ideal Platinum Nanochannel Affected by the External Magnetic Field

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