Article
Chemistry, Multidisciplinary
Krishanu Dey, Bart Roose, Samuel D. Stranks
Summary: Multijunction perovskite solar cells have gained significant attention recently, especially in the realm of low-bandgap perovskite materials. However, there is still much room for improvement in understanding the key properties of these materials, with intrinsic doping serving as a unique influencing factor.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Physical
Gaurav K. Upadhyay, Vinod Kumar, L. P. Purohit
Summary: Different volume compositions of CdO:TiO2 were synthesized and optimized for solar cell application. Increasing the volume fraction of TiO2 in CdO resulted in higher peak intensity of cubic structure of CdO and decreased optical band gap. The nanocomposites successfully reduced the toxicity of CdO and enhanced conductivity by adding TiO2, leading to improved fill factor and conversion efficiency in the optimized device.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Polymer Science
Jubair Ahmed, Tanveer A. Tabish, Shaowei Zhang, Mohan Edirisinghe
Summary: Graphene has been explored for its potential as a membrane material for polymer composite fibers, with recent progress in incorporating porous graphene into high-output polymer fibers. This study successfully demonstrated the production of graphene-loaded microfibers with carrier polymer, and the incorporation of porous graphene into high-output polymer matrices. Analysis using various techniques confirmed the achievement of single layer graphene structures in fibers with diameters ranging from 3-8 μm.
Review
Chemistry, Multidisciplinary
Jiuhui Han, Isaac Johnson, Mingwei Chen
Summary: This article reviews the recent progress in the fabrication and application of 3D porous graphene with designable microstructures, chemistries, and properties for energy storage and conversion. The 3D graphene, synthesized through template-based and template-free methods, retains the highly conductive and mechanically robust properties of 2D graphene while offering new functionalities and opportunities.
ADVANCED MATERIALS
(2022)
Review
Chemistry, Multidisciplinary
Hanrui Su, Yun Hang Hu
Summary: This feature article discusses the synthesis of 3D graphene-based materials and their application in solar cells. The chemistries of graphene oxides, hydrocarbons, and alkali metals for the synthesis of 3D graphene materials are discussed. The performances of these materials in dye-sensitized solar cells and perovskite solar cells are analyzed in relation to their properties/structures. The challenges and prospects for their applications in photovoltaic solar cells are outlined.
CHEMICAL COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Salhah H. Alrefaee, Amira Ben Gouider Trabelsi, Ahmed E. Abdelhamid, Azza A. Ward, Wafaa Elsharkawy, Fatemah H. Alkallas, Ayman M. Mostafa, Ameenah N. Al-Ahmadi, Sherif S. Nafee, Rami Adel Pashameah, Ahmed M. Khalil
Summary: Polymer nanocomposites based on recycled polystyrene and polyvinylpyrrolidone with reduced graphene oxide were prepared through a casting technique. Introduction of reduced graphene oxide significantly enhanced the electrical conductivity and dielectric properties of the nanocomposites. The results suggest that these nanocomposites have potential applications in energy storage, electronics, anti-static, and electro-static dissipation.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Multidisciplinary
Zhide Luo, Cuiping Zhang, Li Yang, Jinbao Zhang
Summary: Perovskite solar cells (PSCs) have shown rapid development in recent years, but their stability has been a key limitation for industrialization and commercialization due to sensitivity to environmental factors. This research developed an ambient spray coating method to create organic-inorganic composite films, significantly enhancing the stability of PSCs and offering potential for flexible and curved device applications.
Article
Chemistry, Physical
Rohit Patil, Yogesh Khollam, Aniket Kadam, Bhaurao Bond, Revati Potdar, Baliram Nadekar, Umesh T. Nakate, Shoyebmohamad F. Shiakh, Pravin S. More
Summary: This study investigates the synthesis and characterization of cadmium sulfide (CdS) and graphene oxide (GO) composite films, which show promising optical and electric properties for solar cell applications. The composite films exhibit enhanced optical properties compared to pure CdS films, indicating their potential for use in solar cell applications. The spray deposition method used in this study offers a simple and cost-effective way to prepare large-area films for practical applications.
SURFACES AND INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Yunyun Cheng, Li Li, Caleb H. Meredith, Rebecca V. Balaj, Dingbowen Wang, Meng Pan, Ting Han, Jian Yang, Qing Wang, Lijie Dong, Lauren D. Zarzar
Summary: Photoluminescence (PL)-type humidity sensing materials with high sensitivity, stretchability, and healability are developed using poly(vinyl alcohol)(PVA) composite gels with Cd x Se1-x Zn y S1-y quantum dots (QDs). A droplet-assisted strategy is employed to improve moisture adsorption by achieving a uniform distribution of QDs and forming micropores in the polymer matrix. The PVA/QD composite gels exhibit excellent humidity sensing performance with high linearity, wide sensing range, fast response/recovery time, and good stability.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Physical
Betul Teymur, Sergiu Levcenco, Hannes Hempel, Eric Bergmann, Jose A. Marquez, Leo Choubrac, Ian G. Hill, Thomas Unold, David B. Mitzi
Summary: Copper barium thioselenostannate (CBTSSe) absorbers utilize low-toxicity and abundant metals, offering low-cost manufacturing, controllable stoichiometry, and tunable band gap. The performance of solution-deposited CBTSSe films is influenced by defects, charge carrier mobility, and lifetime. Surface recombination issues impact efficiency, highlighting the need for improvement in the fabrication process.
Article
Energy & Fuels
G. Kruthika, P. Ravindran
Summary: The study predicts the ground state crystal structures of cyclopropenium metal iodide for the first time and discerns their optoelectronic properties through first-principles calculations. Van der Waals interactions are found to be essential for the correct prediction of the crystal structure and properties. Electronic structural studies reveal semiconductor behavior, with different band gap values for C3H3SnI3 and C3H3PbI3. The calculated power conversion efficiency suggests that C3H3PbI3 is a more promising material for solar cell applications compared to C3H3SnI3.
SOLAR ENERGY MATERIALS AND SOLAR CELLS
(2021)
Article
Engineering, Environmental
Chao Xu, Haibo Li
Summary: The P-GO membrane demonstrates high solar absorptivity, evaporation rate, and evaporation efficiency, showing excellent performance in desalination and organic pollutant removal. It is considered a promising candidate for high-efficiency ISSG in water purification and seawater desalination.
ENVIRONMENTAL SCIENCE-WATER RESEARCH & TECHNOLOGY
(2022)
Article
Chemistry, Applied
Ilknur Babahan-Bircan, Ilke Demirkaya, Samer Obaid Hasan Hasan, Jomin Thomas, Mark D. Soucek
Summary: The thermal and mechanical properties of new bio-based epoxy-amine coatings and their nanocomposite derivatives including graphenes, carbon nanotubes (CNTs) and fullerenes were compared. The results showed that the epoxy-amine nanocomposite coatings exhibited better thermal and mechanical performance compared to epoxy-amine coatings.
PROGRESS IN ORGANIC COATINGS
(2022)
Article
Materials Science, Multidisciplinary
Ankit Kumar Tenwar, Sadhna Singh, D. V. Prashant, Dip Prakash Samajdar
Summary: In this article, a comprehensive comparative analysis was performed on the optoelectronic performance of five different GaAs based nanostructures. The optical characteristics were found to be dependent on the geometrical dimensions, while the electrical characteristics were substantially influenced by the recombination mechanisms.
MATERIALS TODAY COMMUNICATIONS
(2022)
Review
Chemistry, Multidisciplinary
Suresh Sagadevan, Muhammad Mehmood Shahid, Zhan Yiqiang, Won-Chun Oh, Tetsuo Soga, Jayasingh Anita Lett, Solhe F. Alshahateet, Is Fatimah, Ahmed Waqar, Suriati Paiman, Mohd Rafie Johan
Summary: The recent increase in the use of graphene and its derivatives is driven by their exceptional physical, chemical, electrical, mechanical, and thermal properties. These graphene-containing nanomaterials have potential applications in electronics, supercapacitors, photovoltaics, and more, making them highly versatile for future technologies.
NANOTECHNOLOGY REVIEWS
(2021)
Article
Chemistry, Physical
Moumita Kar, Ritabrata Sarkar, Sougata Pal, Pranab Sarkar
Summary: Lead-free two-dimensional perovskites have been investigated for their structural, electronic, and optical properties, showing direct band gap characteristics, suitable band gap widths, and excellent optical absorption performance, ultimately achieving high photoconversion efficiency.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Prodyut Roy, Anup Pramanik, Pranab Sarkar
Summary: For π-conjugated systems, the injection of excess charge on an individual polyphenylene leads to structural and electronic changes, resulting in localized cationic and anionic polarons, which in turn affect the conductance behavior.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Atish Ghosh, Sougata Pal, Pranab Sarkar
Summary: In this study, a porous boron phosphide (p-BP) monolayer is proposed as an excellent cathode material for Li/Na-ion batteries based on density functional theory calculations. The calculated results demonstrate that the p-BP monolayer has superior electronic conductivity, sufficient stability, and appropriate diffusion energy barriers, making it a promising candidate for next-generation battery materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Atish Ghosh, Biswajit Ball, Sougata Pal, Pranab Sarkar
Summary: In this study, we investigated the charge carrier dynamics in a graphitic carbon nitride/tungsten telluride van der Waals heterostructure using time domain density functional theory and nonadiabatic molecular dynamics simulation. The results revealed ultrafast electron and hole-transfer dynamics in the heterostructure, as well as a delayed electron-hole recombination process. Factors such as electron-phonon coupling, band gap, nonadiabatic coupling, and decoherence time were found to affect the charge carrier dynamics.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Bikash Mandal, Barry D. Dunietz
Summary: This paper investigates the computational thermally activated delayed fluorescence (TADF) in donor-acceptor compounds and calculates the transition rates. The results show that the calculated rates agree well with the experimental measurements, while the semiclassical rates are underestimated. Furthermore, the study finds that the ortho and meta isomers are more effective as TADF emitters.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Sanchari Sannigrahi, Atish Ghosh, Biswajit Ball, Pranab Sarkar
Summary: This study investigates the potential of Ti2CO2-WX2 (X = S, Se, Te) vdW heterostructures as Z-scheme photocatalysts. The Ti2CO-WSe2 heterostructure emerges as the most promising material, with longer electron and hole transfer timescales for efficient photocatalytic pathway. The study also reveals that the HER and OER processes occur spontaneously on the surface of the heterostructure without any co-catalyst, establishing it as a potential mediator-free direct Z-scheme photocatalyst for overall water splitting.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Review
Chemistry, Physical
Sourav Ghoshal, Atish Ghosh, Prodyut Roy, Biswajit Ball, Anup Pramanik, Pranab Sarkar
Summary: Nanoclusters, single-atom, and cluster catalysts are crucial for electrochemical and photochemical nitrogen reduction reactions, and significant progress has been made in this field.
Article
Chemistry, Physical
Sampad Mandal, Pranab Sarkar
Summary: Using density functional theory and the Boltzmann transport equation, the electronic structure and thermoelectric behavior of two bulk bialkali antimonides, RbK2Sb and RbNa2Sb, were studied. The calculations showed that both antimonides have ultralow lattice thermal conductivities due to intrinsic phonon scattering. The thermodynamically, mechanically, dynamically, and thermally stable p-type RbK2Sb exhibited high values of Seebeck coefficient, while p-type RbNa2Sb exhibited a moderate Seebeck coefficient and optimum electrical conductivity. The estimated maximum values of figure of merit at 700K (300K) were 4.40 (1.91) and 5.84 (2.76) for p-type RbK2Sb and RbNa2Sb, respectively.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Anjali Ganai, Biswajit Ball, Pranab Sarkar
Summary: In recent years, there has been a focus on using metal-organic frameworks (MOFs) to activate C-H bonds of light alkanes. The energy-demanding steps in the catalytic pathway are the formation of metaloxo species and the subsequent cleavage of C-H bonds. By employing density functional theory, we have found that heavier congeners in a specific group of MOF-525(M) have higher exothermic oxo-formation enthalpies ΔHO and lower N2O activation barriers. It has been concluded that MOF-525(Ru) and MOF-525(Ir) can be effective catalysts for methane hydroxylation based on independent analyses of activation barriers and structure-activity relationship. ΔHO can serve as a guide in selecting the optimum catalyst for methane hydroxylation from a large set of available systems.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Atish Ghosh, Biplab Goswami, Sougata Pal, Pranab Sarkar
Summary: In this study, the charge carrier dynamics in van der Waals heterostructures made of 2D SnX2-supported ZrS(2), ZrSe2, and ZrSSe monolayers are investigated using time domain density functional and non-adiabatic molecular dynamics simulation. The results show that switching from AB to AA stacking extends the carrier lifespan significantly due to weak electron-phonon coupling, lower non-adiabatic coupling, and fast decoherence time. This study reveals that stacking pattern variation is an effective tool for developing efficient photovoltaic devices based on 2D van der Waals heterostructures.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Sara Ansteatt, Brian Uthe, Bikash Mandal, Rachel S. S. Gelfand, Barry D. D. Dunietz, Matthew Pelton, Marcin Ptaszek
Summary: Strong excitonic coupling enables efficient light absorption and charge separation. Bioinspired BODIPY dyads with diethynylmaleimide linkers exhibit giant excitonic coupling and broad optical absorption. This discovery paves the way for the synthesis of molecular systems for efficient light-harvesting and solar energy conversion.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Priya Das, Pranab Sarkar
Summary: In this study, a two-dimensional covalent organic framework (COF) was proposed as a promising sulfur host material for high-performance Li-S batteries. The COF exhibited excellent electronic conductivity, suppressed the shuttle effect of polysulfides, and demonstrated high catalytic activity for the sulfur reduction reactions and Li2S decomposition in the charging and discharging processes of Li-S batteries.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Sampad Mandal, Pranab Sarkar
Summary: In this study, it was discovered through calculations and equation solving that LiAlTe2 and LiGaTe2 can be excellent thermoelectric materials with very low lattice thermal conductivity and high Seebeck coefficients at 800 K, and the calculated values of actual electrical and thermal transport properties were also excellent.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
Sourav Ghoshal, Prodyut Roy, Anup Pramanik, Pranab Sarkar
Summary: It has been predicted that unsupported and oxygen deficient TiO2 surface supported Ru-x/Rh-x nanoclusters can efficiently and selectively convert CO2 into formic acid (FA). The catalyst performance is enhanced by decreasing the size of the metal cluster on the oxide support. Under ambient conditions, a dual atom Rh-2 site catalyst is found to be a better CO2 hydrogenation catalyst. The production rate of FA becomes faster over a supported Ru-4 catalyst at temperatures above 500 K.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Priya Das, Biswajit Ball, Pranab Sarkar
Summary: Using density functional theory calculations, the bilayer TZACOF is predicted to be a promising anode material for sodium and calcium ion batteries, with favorable electronic properties and fast ion mobility.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
