Revista Mexicana de Física最新文献

Prediction of the photovoltaic performance of the lead-free layered Ruddlesden–Popper organic–inorganic perovskite (CH3NH3)2GeI4 无铅层状 Ruddlesden-Popper 有机无机包晶 (CH3NH3)2GeI4 的光伏性能预测

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.040502

Khaoula Ouassoul, A. El kenz, M. Loulidi, A. Benyoussef, M. Azzouz

{"title":"Prediction of the photovoltaic performance of the lead-free layered Ruddlesden–Popper organic–inorganic perovskite (CH3NH3)2GeI4","authors":"Khaoula Ouassoul, A. El kenz, M. Loulidi, A. Benyoussef, M. Azzouz","doi":"10.31349/revmexfis.70.040502","DOIUrl":"https://doi.org/10.31349/revmexfis.70.040502","url":null,"abstract":"Using the density functional theory (DFT) and the spectral limited maximum efficiency (SLME) model, we thoroughly evaluate the material MA2GeI4 as a prospective absorber for photovoltaic applications. This material belongs to the family of layered material organic-inorganic Ruddlesden-Popper perovskites, which have attracted interest due to their stability. Our first-principles calculations show that MA2GeI4 has a direct bandgap that is suitable for light absorption at 1.37 eV. To understand the source of its exceptional optical properties, the electronic structure, density of states, and optical properties were examined. Also, we used the SLME model to estimate the MA2GeI4 solar cell efficiency. The latter was found to be about 32.6% power conversion efficiency. The material’s excellent absorption and promising photovoltaic properties contribute to its high efficiency, even when quantum confinement occurs between layers. We found that MA2GeI4 is a potential absorber material for solar applications, demonstrating both good absorption characteristics and advantageous electrical properties. This discovery lays the path for additional experimental investigation of MA2GeI4 based solar cell.","PeriodicalId":207412,"journal":{"name":"Revista Mexicana de Física","volume":"29 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141713707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of reaction kinetics on natural convection microfluidic devices by computer simulation 通过计算机模拟优化自然对流微流控装置上的反应动力学

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041003

Luis C. Olivares-Rueda, C. Mendoza-Barrera, A. Y. Tenorio-Barajas, Severino Muñoz-Aguirre, M. Rodríguez-Torres, V. Altuzar

{"title":"Optimization of reaction kinetics on natural convection microfluidic devices by computer simulation","authors":"Luis C. Olivares-Rueda, C. Mendoza-Barrera, A. Y. Tenorio-Barajas, Severino Muñoz-Aguirre, M. Rodríguez-Torres, V. Altuzar","doi":"10.31349/revmexfis.70.041003","DOIUrl":"https://doi.org/10.31349/revmexfis.70.041003","url":null,"abstract":"This study presents a novel methodology framework for simulating and optimizing reaction kinetics in natural convection microfluidic devices. The approach involves coupling heat and mass transfer, fluid flow, and chemistry. Visual and regression analyses are performed to evaluate the impact of different operational parameters on reaction speed, aiming to improve microfluidic natural convection systems. The methodology was applied to a practical example of a Polymerase Chain Reaction triangular microfluidic glass device that utilizes natural convection for the required reactions. The findings showed that the fluid flow velocity is significant in determining the reaction speed, which can be controlled by adjusting the temperature cycling differences and the inner diameter of the device. Despite challenges posed by the fluid flow direction, the best reaction times achieved ranged from 18 to 21 minutes. Due to its computational efficiency, the developed methodology allows simulations to be conducted on mid-range computers. Also, the visual and regression analyses offer insights into improving a specific device by measuring the influence of several parameters. Then, the methodology is convenient for selecting the best conditions before developing an experiment.","PeriodicalId":207412,"journal":{"name":"Revista Mexicana de Física","volume":"77 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141702033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational investigation of elastic properties of hypothetical Half-Heusler compounds XNbSn under hydrostatic pressures 静水压力下假设半休斯勒化合物 XNbSn 弹性特性的计算研究

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041002

R. Shabara, B. O. Alsobhi

引用次数: 0

Comparison of energy-dependent and independent interactions-a case study 依赖能量的相互作用与独立相互作用的比较--案例研究

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041201

B. Swain, S. Laha, U. Laha, B. Khirali

引用次数: 0

ΩbbbΩbbbΩbbb tribaryons ΩbbbΩbbbΩbbbΩbb三键式

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041202

H. Garcilazo, A. Valcarce

引用次数: 0

Extraction of soliton solutions for the fractional Kaup-Boussinesq system: A comparative study 分数 Kaup-Boussinesq 系统孤子解的提取：比较研究

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041302

H. Alsaud, N. Raza, S. Arshed, A. R. Butt, Mustafa Inc

引用次数: 0

DFT formalism studies on the structural and electronic properties of hexagonal graphene quantum dot with B, N and Si substitutional impurities 含 B、N 和 Si 置换杂质的六方石墨烯量子点的结构和电子特性的 DFT 形式主义研究

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041601

K. M. Méndez Martínez, Flavio Manuel Nava Maldonado

{"title":"DFT formalism studies on the structural and electronic properties of hexagonal graphene quantum dot with B, N and Si substitutional impurities","authors":"K. M. Méndez Martínez, Flavio Manuel Nava Maldonado","doi":"10.31349/revmexfis.70.041601","DOIUrl":"https://doi.org/10.31349/revmexfis.70.041601","url":null,"abstract":"The study of carbon-based nanostructured materials is a highly active research field, that has made significant progress in the study of twodimensional materials and nanotechnology. The interest in these materials is mainly attributed to the fascinating properties they exhibit, as seen in the case of graphene as a 2D material, as well as emergence on numerous novel 2D materials and their heterostructures. Additionally, there is important interest in systems such as 2D quantum dots. Therefore, this work focuses on the systematic study of graphene quantum dots of various sizes, all within the framework of first-principles density functional theory. We started with the simplest graphene quantum dot (GQD) structure, benzene (C6H6), which consist of six carbon atoms passivated with hydrogen atoms. We then increased its size by adding more aromatic rings, resulting in the following GQD configurations: C24H12, C54H18, C96H24, C150H30 and C216H36. We report the density of states (DOS) and the imaginary part of the dielectric function (ε2) for the system, analyzing both the pristine configuration and the effect of both single and double (boron, nitrogen and silicon, denoted as Sa). The double substitutional atom study was done considering random, ortho-, meta-, and para-director positions just for the C94H24Sa2 GQD. In general, we can conclude that as the GQD increases in size, the HOMO-LUMO energy decreases. Furthermore, it is observed that boron and nitrogen exhibit their expected n-, and p-type doping characteristics, but this differs between single and double Sa substitutions. Additionally, the imaginary part of the dielectric function is highly sensitive to the positions of single and double substitutional atoms, as well as the polarization of incident light. Therefore, we suggest that these differences can be used to clearly determinate the type of substitutional atoms and their positions from optical measurements.","PeriodicalId":207412,"journal":{"name":"Revista Mexicana de Física","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141706230","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Magnetoelectric effect of PZT/Ni50.5Mn27.9Ga21.6/PZT laminate composite: design and measurement PZT/Ni50.5Mn27.9Ga21.6/PZT 层压复合材料的磁电效应：设计与测量

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041602

Ana Maria Schönhöbel, J. Gutiérrez, M. Barandiarán

引用次数: 0

Radiation shielding parameterizations of FeSO4, CuSO4, NiSO4 and ZnSO4 Compounds: using (XRF) technique & Monte Carlo FLUKA approach FeSO4、CuSO4、NiSO4 和 ZnSO4 化合物的辐射屏蔽参数化：使用 (XRF) 技术和蒙特卡罗 FLUKA 方法

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.040401

Muataz Majeed

{"title":"Radiation shielding parameterizations of FeSO4, CuSO4, NiSO4 and ZnSO4 Compounds: using (XRF) technique & Monte Carlo FLUKA approach","authors":"Muataz Majeed","doi":"10.31349/revmexfis.70.040401","DOIUrl":"https://doi.org/10.31349/revmexfis.70.040401","url":null,"abstract":"The mass attenuation coefficient (MAC) for different sulphate compounds can be estimated by using the Energy Dispersive X-ray Fluorescence (EDXRF), also known as X-ray Fluorescence (XRF) technique. The X-ray photons emitted have different energies depending on incident photon energy, atomic weight, and molecular structure of tested material. The excitation energy of the gamma rays source with 59.53 keV was obtained by using 241Am (40 µci). The (MAC) for sulphate compounds of a different element (Fe, Ni, Cu, Zn) have been calculated by measuring the intensity difference for kα in pure elements and their compounds. The determined results showed that the maximum value for (µm) was in FeSO4. These results are consistent with the theoretical value obtained by the XCOM software in addition to investigating the wide energy response of photon interaction with the introduced compounds using the FLUKA Monte Carlo simulation software. The mass attenuation coefficient (MAC) of these compounds is numerically evaluated in the energy range 0.015-15 MeV using the FLAIR code. The computed (µm) is used to generate significant radiation protection factors such as the linear attenuation coefficient (LAC), half-layer value (HVL), effective (Zeff), and equivalent (Zeq) atomic number. For studying the shielding effectiveness and efficiency, for fast and thermal neutron radiation, the removal cross-section ƩR was given.","PeriodicalId":207412,"journal":{"name":"Revista Mexicana de Física","volume":"9 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141701623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Numerical investigation into the Nd doped YAG rod grooving impact on the sunlight-pumped-laser performance 掺钕 YAG 棒开槽对阳光泵浦激光器性能影响的数值研究

Revista Mexicana de Física Pub Date : 2024-07-01 DOI: 10.31349/revmexfis.70.041301

Mehellou Said, Noureddine Hamrouni, Rehouma Ferhat

{"title":"Numerical investigation into the Nd doped YAG rod grooving impact on the sunlight-pumped-laser performance","authors":"Mehellou Said, Noureddine Hamrouni, Rehouma Ferhat","doi":"10.31349/revmexfis.70.041301","DOIUrl":"https://doi.org/10.31349/revmexfis.70.041301","url":null,"abstract":"This paper presents a numerical analysis of the impact of grooving the Nd doped YAG rod on the sunlight-pumped lasers performance. The study analyzes laser systems that utilize side-exciting and end-side-exciting approaches to activate both grooved and non-grooved Nd doped YAG laser rods. The effects of the rod surface groove on the performance of the sunlight-pumped-lasers are thoroughly examined using ZEMAX© and LASCAD© software. To excite the grooved and non-grooved Nd doped YAG rods alternately, a ring-array sunlight flux concentrator is employed. Moreover, in the side-exciting technique, the head of the laser system contains a rectangular light guide of an extremely transparent glass made from fusing silica and an excitation cavity with a V-shaped configuration, housing the Nd doped YAG rod. This exciting method with a grooved laser rod resulted in a 13.70% increase in laser power and a 28.20% reduction in stress intensity compared to the non-grooved rod. In the end-side-exciting technique, the head of the laser system comprises an aspheric lens made of a fused silica glass and a conical-shaped excitation cavity, accommodating the Nd doped YAG rod. Results indicate that using grooved laser rod in this exciting system did not lead to an amelioration in output laser power. However, this technique enhanced the stress intensity by a reduction of 35.03%.","PeriodicalId":207412,"journal":{"name":"Revista Mexicana de Física","volume":"1987 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141707275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0