Article
Environmental Sciences
Zia ur Rehman, Muhammad Awais Rehman, Bushra Rehman, Surajudeen Sikiru, Saima Qureshi, Esraa Mousa Ali, Muhammad Awais, Mahnoor Amjad, Iqra Iqbal, Anam Rafique, Saira Bibi
Summary: In this study, the characteristics and hydrogen storage properties of MgXH3 (X = Co, Cu, Ni) hydrides were analyzed using density functional theory. The results provide insights into the structural, mechanical, and electronic properties of perovskite hydrides, as well as their potential for hydrogen storage applications.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Physics, Applied
K. Bougherara, Samah Al-Qaisi, Amel Laref, Tuan V. Vu, D. P. Rai
Summary: The structural, mechanical, and optoelectronic properties of X3P2 (X= Mg, Ca) were investigated using first-principles calculations. Results showed that Mg3P2 is ductile while Ca3P2 is brittle, with bandgaps increasing with HSE06 hybrid functional for both compounds. Both compounds exhibit high optical absorption in the visible region, making them potential candidates for photovoltaic applications.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
(2022)
Article
Engineering, Electrical & Electronic
G. Ugur, A. K. Kushwaha, M. Guler, Z. Charifi, S. Ugur, E. Guler, H. Baaziz
Summary: In this study, the structural, elastic, electronic, optical, and vibrational properties of double half Heusler compounds Ti2FeNiSb2 and Ti2Ni2InSb were investigated using density functional theory for the first time. The calculated results indicate that both compounds are mechanically stable with ductile mechanical character, exhibit semiconductor behavior with band gap energies, and possess specific optical and vibrational properties.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Engineering, Electrical & Electronic
M. Batouche, T. Seddik, Tuan V. Vu, W. Ouerghui, Dj Hemidi, Dat D. Vo, O. Y. Khyzhun, Nguyen N. Hieu
Summary: In this study, the orthorhombic CaM2S4 (M = Sc, Y) structures were examined through first-principles calculations. The compounds were found to be mechanically stable with high stability under uniaxial deformation. Due to their small direct energy band gaps, they show potential as long-wave transparency materials. Additionally, CaM2S4 (M = Sc, Y) compounds exhibit good performance in photo-driven photocatalyst water splitting.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2023)
Article
Materials Science, Multidisciplinary
Othmen Khaldi, Abdelkader Majouri, Tarek Larbi
Summary: The study investigated the impact of Zn doping on the properties of titanium dioxide, confirming that Zn doping effectively reduces the band gap, enhances optical properties, and improves photocatalytic activity. Additionally, correlations between DFT calculations and electrical response were established, and the stability of (Zn:TiO2) films was explored.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Physics, Applied
Geoffrey Tse
Summary: Using ab initio first-principles calculations, this study investigates the properties of Ag3S and Ag3Se with nonlocal hybrids exchange-correlation functional. The material is classified as Fermi-Dirac semi-metal. When replacing S with Se, the electronic band shifts downward. The optical results, such as absorption coefficients and dielectric functions, are similar for both compounds.
MODERN PHYSICS LETTERS B
(2023)
Article
Crystallography
Anubama Rajendran, Rita John
Summary: The structural, electronic, elastic, and mechanical properties of half-Heusler HfRhZ (Z = As and Sb) alloys were investigated using first principles calculations. The results showed that HfRhSb is an indirect band gap semiconductor, while HfRhAs is a direct band gap semiconductor. The alloys were found to be elastically stable and exhibited different mechanical properties.
JOURNAL OF CRYSTAL GROWTH
(2022)
Article
Chemistry, Physical
Ahmad A. Mubarak, Saad Tariq
Summary: This article presents the structural, electronic, magnetic, mechanical, and optical attributes of SmFeO(3) under pressure up to 80 GPa, revealing changes in some properties of the compound with increasing pressure. The potential application value of the compound in spintronic industry and piezoelectric sensors is also proposed.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Ali Raza, A. Afaq, M. Salman Kiani, Maqsood Ahmed, Abu Bakar, Muhammad Asif
Summary: This study compares the elasto-mechanical, electronic, and optical properties of pyrochlores. The results show that these materials have flexible and ductile nature, making them suitable for high-temperature and opto-electronic applications.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Physics, Multidisciplinary
Jianfeng Ye, Qingquan Xiao, Shasha Fu, Huazhu Tang, Yunmei Yao, Quan Xie
Summary: A new two-dimensional direct bandgap semiconductor material, 2D Mg2Si-111, with a reticulated hexagonal structure and excellent photoresponse properties is predicted. Its properties can be tuned with the number of layers and Mg defects. The semiconductor of 2D Mg2Si-111 is stable and has a bandgap suitable for light absorption. It shows high-efficiency application potential in optoelectronic devices.
Article
Chemistry, Inorganic & Nuclear
Sikander Azam, Banat Gul, Nargis Ali, Khalil Ahmad, Rashid Khan, H. H. Hegazy, Wilayat Khan, Sikandar Aftab, Altaf Ur Rahman
Summary: This study investigated the electrical and optical properties of Ba2MLnSe5 (M = Ga, In; Ln = Y, Nd, Sm, Gd, Dy, Er) using density functional theory and WIEN2k code. The compound was found to exhibit semiconducting nature and covalent character. Optical properties, such as dielectric function, optical conductivity, refractive index, and absorption coefficient, were predicted. The compound showed minimal reflection and maximal absorption in the infrared to visible light range, making it suitable for applications in remote sensing and surgical equipment.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Polymer Science
Muhammad Irfan, Nusrat Shaheen, Gideon F. B. Solre, Eman A. Alabbad, Ebraheem Abdu Musad Saleh, M. M. Moharam, Adel A. El-Zahhar, Sana Ullah Asif, Sayed M. Eldin, Mudassir Hussain Tahir, Muhammad Aslam
Summary: This study investigates the photovoltaic properties and thermoelectric performance of Fe and Rh-doped pyrochlore oxides using density functional theory and Boltzmann transport theory. The results show that Sr2YGaRh2O7 compound exhibits high ZT values and p-type nature at high temperature (800 K), making it suitable for solar heating.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
(2023)
Article
Chemistry, Physical
Suleyman Cabuk
Summary: This study investigates the impact of the Hubbard correction parameter on the properties of SeXO3 compounds, finding that the G-type antiferromagnetic configuration is more stable and that both compounds exhibit semiconductor behavior. The study also reveals the elastic and anisotropic properties of the compounds.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
F. Parvin, S. H. Naqib
Summary: NaSn2P2, with a vdW structure, is a recently discovered superconducting system with intriguing electrical, optical, thermal, and superconducting properties. Investigation under various pressures reveals unique structural, electronic, optical, and superconducting features, making NaSn2P2 suitable for optoelectronic device applications.
RESULTS IN PHYSICS
(2021)
Article
Engineering, Electrical & Electronic
Yu-Shi Liu, Wei Zeng, Zheng-Tang Liu, Qi-Jun Liu, Juan Gao, Zhen Jiao
Summary: In this study, the structural, electronic, and optical properties of four known ZnO phases and three predicted ZnO modification phases were investigated using first-principles density-functional theory calculations. The results were compared with previous theoretical and experimental findings. The band structures, densities of states, and chemical bonding of the seven types were discussed. The dielectric function and optical constants were also calculated and analyzed.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Optics
G. Palai, Anand Nayyar, Arun Solanki, Susanta Kumar Tripathy
Article
Optics
Iraj Sadegh Amiri, P. Yupapin, G. Palai, S. K. Tripathy
Article
Chemistry, Physical
Rishikanta Mayengbam, Ashutosh Srivastava, S. K. Tripathy, G. Palai
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Optics
I. S. Amiri, P. Yupapin, Bandana Mahapatra, Susanta Kumar Tripathy, G. Palai
Article
Materials Science, Multidisciplinary
Paramita Sarkar, Julaiba Mazumder, S. K. Tripathy, K. L. Baishnab, G. Palai
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2019)
Article
Optics
I. S. Amiri, G. Palai, Jafar A. Alzubi, S. K. Tripathy
Article
Optics
I. S. Amiri, G. Palai, S. K. Tripathy, S. R. Nayak
Article
Optics
I. S. Amiri, Santosh Kumar Sahoo, G. Palai, S. K. Tripathy
Article
Optics
I. S. Amiri, Jafar A. Alzubi, S. K. Tripathy, G. Palai
Article
Physics, Applied
P. Sarkar, A. Srivastava, S. K. Tripathy, K. L. Baishnab, T. R. Lenka, P. S. Menon, F. Lin, A. G. Aberle
JOURNAL OF APPLIED PHYSICS
(2020)
Article
Engineering, Electrical & Electronic
P. Sarkar, A. Srivastava, S. K. Tripathy, K. L. Baishnab, T. R. Lenka, P. S. Menon, F. Lin, A. G. Aberle
Summary: Pure and gallium (Ga)-doped CH3NH3PbCl3 perovskites were prepared using a simple solution-processed technique, and analyzed for their structural, optical, morphological, elemental, and electronic properties. The results showed that Ga doping can lead to bandgap narrowing and widening behavior, with optimum Ga doping improving the characteristics of the perovskites, while excessive doping deteriorating the surface morphology. The study suggests a new insight into the fabrication of lead-free perovskite materials with advanced optoelectronic properties using post-transition metals.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2021)
Article
Engineering, Electrical & Electronic
Trupti Ranjan Lenka, Rajan Singh, Susanta Kumar Tripathy, Vishal Goyal, Truong Khang Nguyen, Hieu Pham Trung Nguyen
Summary: This paper presents a study on the 2DEG characteristics of InAlAs/InP-based HEMT structures with two different channel materials (InAlAs and InGaAs) through self-consistent solutions of Schrodinger and Poisson equations. It is found that InAlAs and InGaAs with x = 0.75 composition can be best utilized as channel materials for improved 2DEG density and CV characteristics. DC characteristics extracted through TCAD simulations suggest that InGaAs/InP-based HEMT structures have potential for high-speed microwave and millimeter-wave applications.
INTERNATIONAL JOURNAL OF NUMERICAL MODELLING-ELECTRONIC NETWORKS DEVICES AND FIELDS
(2022)
Article
Multidisciplinary Sciences
Ashutosh Srivastava, Susanta Kumar Tripathy, Trupti Ranjan Lenka, Pavol Hvizdos, P. Susthitha Menon, Fen Lin, Armin Gerhard Aberle
Summary: The study investigated the structural, optoelectronic, and elastic properties of quaternary chalcogenide materials Ag2SrSn(S/Se)(4) in kesterite and stannite phases, with a focus on their potential as efficient absorber layer materials in thin-film solar cells. The results show promising absorber efficiency and predicted efficiency for Ag2SrSnSe4 in both kesterite and stannite phases.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Engineering, Multidisciplinary
D. Dash, C. K. Pandey, S. Chaudhury, S. K. Tripathy
Article
Materials Science, Multidisciplinary
Debashish Dash, Chandan Kumar Pandey, Saurabh Chaudhary, Susanta Kumar Tripathy
MULTIDISCIPLINE MODELING IN MATERIALS AND STRUCTURES
(2019)
Article
Materials Science, Multidisciplinary
Muhammad Haris Azhar, Tayyaba Noor, Naseem Iqbal, Neelam Zaman, Sarah Farrukh
Summary: This study uses a novel adsorbent Metal Organic Framework (MOF) and its composites to adsorb CO2. Experiment results show that 5 wt% g-C3N4/Ni-BDC MOF exhibits the highest adsorption capacity.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Ayumu Nodera, Shinya Aikawa
Summary: In this study, a CO2 sensor capable of low-temperature operation was fabricated using an open-channel-type thin-film transistor structure with a polar surface of an oxide semiconductor. The sensor showed a sensitivity 2.9 times greater than that under an inert N2 atmosphere at an operating temperature of only 150 degrees C. The results suggest that TFTs fabricated with polar surfaces of oxide semiconductors are useful for gas-sensing applications.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Bindhyabasinee Mishra, Jyotirmayee Nanda, Subhra S. Brahma, K. J. Sankaran, R. Sakthivel, S. Ghadei, S. Suman
Summary: In this study, a series of polycrystalline mixed spinel ferrites were synthesized and characterized. The Mg0.5Zn0.5La0.05Fe1.95O4 ferrite showed the best response and recovery time, indicating its potential as a material for LPG sensing.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Review
Materials Science, Multidisciplinary
Rajashree Panda, Mitrabhanu Behera, A. Arun Kumar, Dhananjay Joshi
Summary: Rare earth doped aluminate-based phosphors are preferred over sulfide-based phosphors. The unique luminescence features of lanthanide-based materials are being utilized for multidisciplinary research and inventive applications. The past years have seen an increase in research interest in aluminate-based phosphors, leading to improvements in their long-lasting phosphorescence and phosphorescence efficiencies. Combustion synthesis route is an efficient technique for preparing nano-phosphor due to its simplicity and cost-effectiveness.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Review
Materials Science, Multidisciplinary
Younes Zohrabi
Summary: Water is essential for the survival of living organisms, but industrialization has led to contamination of water sources with heavy metals and harmful pollutants. Magnetic nano ferrites have shown potential in effectively removing heavy metals from water due to their magnetic characteristics, high surface area, surface active sites, chemical stability, and ease of modification. This review explores recent literature on the synthesis and application of magnetic ferrites for removing heavy metals from water, aiming to provide a comprehensive understanding for future research.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Baolin Liu, Chenxin Xie, Guanglei Qian, Lishan Zhou, Chenglei Zhang, Lingzhi Zhu
Summary: In this study, a self-cleaning CuO-PdO-Pd/Ti membrane has been developed for the removal of small-sized pollutants. The membrane exhibited superior removal ability and permeability compared to conventional membranes, and maintained high efficiency even after repeated tests. The CuO-PdO-Pd/Ti membrane also showed excellent removal efficiency when treating real wastewater, indicating its high potential for practical applications.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Debabrata Panda, Akhilesh Kumar Sahu, Krunal M. Gangawane
Summary: A variety of hierarchical nanoporous silica aerogels were synthesized from well-dispersed silica sols, exhibiting diversified particle distributions and excellent thermal properties. The silica aerogels showed low thermal conductivity and high-temperature resilience. Surface modification and dilution of silica sols further improved the thermal resistance of the aerogels. The resilient skeleton structure developed from tiny particles effectively restricted heat dissipation and maintained the porous network at high temperatures.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Hardy Shuwanto, Hairus Abdullah, Young Ku, Jenni Lie
Summary: In this study, a defective system of V-doped Fe2O3 with Pt as a cocatalyst was used for photoelectrochemical water oxidation. The defects in the VFPt-2.5 photoanode were characterized by XPS and EPR analyses. The SEM and TEM analyses revealed that the electrodeposited V-doped alpha-Fe2O3 had a nanosized morphology with an average diameter of 12 nm and a thickness of 300 nm. Under light irradiation, the VFPt-2.5 photoanode achieved a remarkable onset potential and photocurrent density. The stability test showed that Pt helped overcome the charge recombination caused by surface states.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Reza Gholipur, Hemin Mohammed Ali Khalifa, Khatereh Afrouzeh
Summary: Developing doped cathode materials is crucial for achieving low cost and high-performance energy storage. LiMn1.977(Ce, Cu, Ti, CeCuTi)0.023O4 nanoparticles show unmatched high structural stability, capacity, and safety during charge/discharge cycles. Ti-doped LiMn2O4 cathode calcined at 700 degrees C demonstrates the highest capacity and retention when multi-walled carbon nanotubes are added. The presence of titanium increases the porosity for reversible lithium storage and the dielectric constant.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
T. Amutha, M. Rameshbabu, S. Sasi Florence, G. Ramalingam, S. Muthupandi, K. Prabha
Summary: This research provides an overview of the structural analysis and magnetic characteristics of dilute magnetic semiconductor oxides (DMSOs) based on binary metal oxide nanomaterials with different ferromagnetic or paramagnetic dopants. The coprecipitation method was used to create nanoparticle samples, and the results showed certain ferromagnetic behavior and increased magnetic properties.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Preeti Kumari, Vipul Srivastava, Ramesh Sharma, Hamid Ullah
Summary: In this study, the rare-earth ferrites perovskite RFeO3 (R = Pr, Nd) were investigated for their various properties including structural, electronic, magnetic, optical, thermodynamic, and thermoelectric behavior. The study found that these materials exhibit half-metallic behavior under certain conditions, and their optical and thermoelectric properties were evaluated, making them potential candidates for spintronic devices and UV absorbers.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Shuting Yuan, Tianchi Wang, Tian Feng, Jian Kong
Summary: In this study, Fe/Fe3O4/C hollow electromagnetic wave absorbers were prepared using hollow ceiba fibers as templates. The proposed hollow structure could reflect and scatter electromagnetic waves multiple times, leading to significant energy consumption. The impedance matching of magnetic materials and biochar enabled the joint absorption of magnetic and dielectric losses to absorb electromagnetic waves.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
G. R. Mamatha, B. R. Radha Krushna, J. Malleshappa, S. C. Sharma, Satish Kumar, C. Krithika, Nandini Robin Nadar, Dileep Francis, K. Manjunatha, Sheng Yun Wu, H. Nagabhushana
Summary: Nanostructured SrAl2O4:Tb3+/M (M = Li+, Na+, K+, Ca2+, Bi3+) green nanophosphors were synthesized using an environmentally friendly combustion process and Areca nut as a sustainable fuel source. The introduction of alkali metal co-dopants optimized the luminescent intensity and showed potential for data security applications.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Tomoyuki Tachibana, Akihiro Yabuki
Summary: A one-step thermal-reduction method was used to synthesize copper sulfide films with different compositions and pillar-like structures, through adjusting the sulfur ratio and incorporating excess sulfur during the synthesis process.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Manal A. Mahdy, I. K. El Zawawi, Manal Mounir Ahmad
Summary: Pure PVA and its nanocomposites with CuO and/or CoFe2O4 films were prepared and characterized. The optical properties of the films can be modulated by controlling the percentage of CuO and/or CoFe2O4. The nanocomposites exhibit good ferromagnetic behavior, making the prepared films potentially useful in antenna system miniaturization and flexible magneto-electronic applications.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2024)