High-efficiency perovskite photovoltaic system performance by molecular dynamics method: optimizing electron transport thicknesses, hole transport, and anti-reflector …

MB Henda, TA Alkanhal, A Rebey, A Sa'ed… - Engineering Analysis with …, 2023 - Elsevier
The perovskite solar cell was modeled with the assistance of the molecular dynamics (MD)
method to propose a superior configuration for perovskite solar cells and high efficiency for …

Develop a novel PID controller for an improved economizer in the air handling unit to cut the energy consumption for an office building in Saudi Arabia via Genetic …

AF Turki, NH Abu-Hamdeh, AH Milyani… - Journal of the Taiwan …, 2023 - Elsevier
Background In hot-arid climates, the potential of using free cooling is very attractive due to
the difference between night and day temperatures. In free cooling, the interior can be …

Molecular dynamic study of perovskite with improved thermal and mechanical stability for solar cells application: Calculation the final strength of the modeled atomic …

M Omidi, Z Karimi, S Rahmani, AN Bakhtiyari… - … Analysis with Boundary …, 2023 - Elsevier
Abstract The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS)
software is used to do molecular dynamics simulations, which entail modeling atom …

Theoretical investigation of the mechanical properties of perovskite at various environmental factors change for application in solar cells proposed for green policy

RCB Cedeno, J Wei - Engineering Analysis with Boundary Elements, 2023 - Elsevier
The mechanical qualities of XSnI 3 (X= Cs, K, and Rb) perovskite structures have been
computed using the LAMMPS program via the molecular dynamics approach. When running …

The significance and effectiveness of combining integrated photovoltaic systems and biomaterials to improve renewable energy utilization in the built environment via …

MB Henda, M Jebli, RN Dara, QH Le - Engineering Analysis with Boundary …, 2023 - Elsevier
In this investigation, we began by applying the Large-scale Atomic/Molecular Massively
Parallel Simulator (LAMMPS) program to model the perovskite crystal structure using …

Molecular dynamics method for numerical study of thermal performance of hexacosane PCM in a Cu-nanochannel

QH Le, SM Sajadi, E Karooby, MJ Ghahderijani… - … Analysis with Boundary …, 2023 - Elsevier
Due to the growth of energy consumption in world and limitation of fossil fuels, energy
storage is of great importance. The n-Hexacosane (paraffin) is one of the most popular …

Computational modeling of Graphene-enhanced back surface fields for higher efficiency in copper indium gallium selenide solar cell

P Chaudhary, RK Chauhan, R Mishra - Journal of Physics and Chemistry of …, 2025 - Elsevier
The efficiency of CIGS (Copper Indium Gallium Selenide) solar cells has been significantly
improved by incorporating Graphene Oxide (GO) or Graphene into their structure …

Sm2O3-doped all-inorganic perovskite nanocrystalline glass induces self-crystallization of CsPbBr3 nanocrystals and is used in WLEDs

Y Yang, Y Chen, J Li, L He, M Wu, Q Wang… - Journal of …, 2024 - Elsevier
All-inorganic perovskite quantum dots (QDs) in glass materials, specifically CsPbX 3 (X= Cl,
Br, I), are being considered as the next-generation fluorescent materials due to their …

Two-dimensional functionalized Y2CX2 (X= F, Cl, Br, I) MXene semiconductors for photovoltaic applications

S Amirian, N Fatahi, M Naseri - Materials Today Communications, 2025 - Elsevier
In recent years, MXenes, a new class of two-dimensional materials, have garnered
significant attention due to their exceptional electrical, mechanical, and optical properties …

Thermo-mechanical properties of silica-reinforced PLA nanocomposites using molecular dynamics: The effect of nanofiller radius

MK Nikzad, F Aghadavoudi… - Journal of Polymer …, 2024 - Springer
In this study, the elastic mechanical properties of heat deflection temperature (HDT) of a
polymeric matrix composite reinforced with silica particles have been studied at the atomic …