Article
Chemistry, Physical
Eleana Mundaray, Alfonso Saez, Jose Solla-Gullon, Vicente Montiel
Summary: The development of environmentally friendly Acid-Base Electrochemical Flow Battery (ABEFB) using high NaCl concentration electrolyte has been reported in this study. Under optimal conditions, this battery can provide a high power density, coulombic efficiency, and round-trip efficiency.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Physical
Juan Rogelio Tena-Garcia, Alejandro Casillas-Ramirez, Ricardo Guerrero-Ortiz, David Ricardo Poire de la Cruz, Karina Suarez-Alcantara
Summary: The dehydrogenation temperature of LiAlH4 can be significantly reduced by producing mixtures with ZrCl4 through ball milling at low temperatures. This method allows for efficient hydrogen release by achieving small aggregate size and preventing substantial decomposition. However, the LiAlH4/ZrCl4 mixtures are unstable and difficult to handle. The dehydrogenation pathway is changed in the mixtures, resulting in the formation of Al, LiCl, Zr, and H2 as the main products.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Materials Science, Multidisciplinary
Sai Smruti Samantaray, P. Anees, Vinayan Bhaghavathi Parambath, S. Ramaprabhu
Summary: Experimental studies and DFT calculations were conducted to investigate the hydrogen storage properties of graphene supported MgNi alloy nanoparticles nanocomposites. The results showed a significant enhancement in hydrogen storage capacity, with DFT calculations shedding light on the underlying adsorption mechanism.
Article
Chemistry, Physical
Muhammad Irfan Maulana Kusdhany, Stephen Matthew Lyth
Summary: The study found that pressure and BET surface area are the two strongest predictors of excess hydrogen uptake in porous carbon materials, with oxygen content also showing a positive correlation. Additionally, ultramicropores are more positively correlated with excess uptake than micropores, although the effect is relatively small compared to other factors such as BET surface area and total pore volume.
Article
Chemistry, Multidisciplinary
Dimitrios Toroz, Fu Song, Gregory A. Chass, Devis Di Tommaso
Summary: Simulations suggest that the presence of different solution additives can affect the hydration state and crystallization of Mg2+, potentially lowering the barrier to dehydration and promoting low-temperature crystallization of Mg-carbonates.
Article
Agronomy
Xin Mao, Anqi Chen, Jingyao Qu, Pengjie Luo, Yanli You, Yonglin Gao, Fengguang Dong, Yongning Wu, Yanshen Li
Summary: This research investigates the cold treatment for inhibiting Alternaria infection and mycotoxins production in apple during postharvest storage. The results show that cold treatment can effectively inhibit Alternaria rot in inoculated apples. Different mycotoxins are detected at room storage temperature and cold storage, and the metabolic pathways of Alternaria mycotoxins are identified. This research provides new insights into mycotoxin production and helps in understanding postharvest storage and safety control of fruits.
POSTHARVEST BIOLOGY AND TECHNOLOGY
(2023)
Article
Energy & Fuels
Hesham Abdulelah, Alireza Keshavarz, Hussein Hoteit, Hussein Abid, Eirini Goudeli, Jonathan Ennis -King, Stefan Iglauer
Summary: This study investigated the physisorption behavior of hydrogen on various earth minerals. The results showed that illite had the highest adsorption capacity, and high-surface-area materials like clays or kerogen exhibited better adsorption performance. These findings are important for evaluating the feasibility of underground hydrogen storage.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Metallurgy & Metallurgical Engineering
Zongying Han, Yayun Wu, Hao Yu, Shixue Zhou
Summary: This study performed Density Functional Theory (DFT) calculations to investigate the hydrogen dissociation and diffusion on the Mg (0001) surface with Ni incorporation at different locations. The results revealed that the Ni atom prefers to locate inside the Mg matrix rather than on or over the topmost surface. Further calculations showed that the Ni atom located on or over the topmost Mg (0001) surface exhibits an excellent catalytic effect on hydrogen dissociation with a low energy barrier. However, Ni doping inside the Mg bulk not only has little effect on hydrogen dissociation but also hinders hydrogen diffusion. Therefore, stabilizing the Ni atom on the surface or in the topmost layer of the Mg (0001) surface is crucial to maintain its catalytic effect. For all the cases of Ni-incorporated Mg (0001) surfaces, the hydrogen atom prefers to migrate along the surface before penetrating into the bulk. It is expected that the theoretical findings in this study can provide fundamental guidance for the future design of efficient Mg-based hydrogen storage materials.
JOURNAL OF MAGNESIUM AND ALLOYS
(2022)
Article
Chemistry, Physical
Shijie Bai, Lin Liu, Chenyang Liu, Chao Xie
Summary: Solid-state hydrogen storage is the best choice for balancing economy and safety, and hydrogen storage in the secondary phase shows promise. A phase-field framework was developed to model hydrogen trapping and storage in alloys. The simulation results revealed important mechanisms, including the role of elastic driving force and geometry stress concentration in promoting hydrogen trapping, and the tradeoff between hydrogen storage capacity and charging rate by manipulating secondary phase properties. This new hydrogen storage scheme offers a viable path for optimizing hydrogen storage and transport.
Article
Chemistry, Physical
F. J. Antiqueira, D. R. Leiva, G. Zepon, W. J. Botta
Summary: In recent studies, it was found that high energy ball milling of Mg/MgH2 mixed with additives can reduce the temperature for H-2 absorption/desorption without altering thermodynamic properties. This research aimed to identify efficient hydrogen absorption/desorption catalysts at low temperatures, particularly at room temperature (RT). Among the additives tested in this study, MgH2-TiFe mixture showed the best performance, attributed to the strong catalytic action of TiFe and the high energy interfaces attracting hydrogen gas.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Multidisciplinary
Kentaro Kadota, You-Lee Hong, Yusuke Nishiyama, Easan Sivaniah, Daniel Packwood, Satoshi Horike
Summary: Conversion of CO2 into highly porous crystalline MOFs at ambient temperature and pressure has been achieved in a one-pot process, offering a potential solution to the challenge of realizing a carbonneutral society.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Food Science & Technology
Ana I. Carrapiso, Antonia Trejo-alvarez, Maria Jesus Martin-Mateos, Jonathan Delgado-Adamez, Jesus Garcia-Parra, Rosario Ramirez
Summary: This study evaluated for the first time the effect of High Processing Pressure (HPP) and storage temperature on sliced Iberian chorizo with high a(w) and pH. The results showed that HPP, storage time, and 20 degrees C storage effectively decreased the initial high microbial counts. HPP and storage temperature had limited adverse effects, while storage time had marked adverse effects on oxidation and sensory traits. Overall, HPP can be an effective hurdle for controlling microbial counts in chorizo with high a(w) and pH, and economically convenient storage at 20 degrees C may be beneficial despite moderate quality loss.
Article
Chemistry, Physical
Satya Prakash Padhee, Amritendu Roy, Soobhankar Pati
Summary: Although Fe2Ti is inert towards hydrogen and cannot store hydrogen, its presence in FeTi helps in activating FeTi to improve hydrogen storage efficiency. Proper care should be taken to avoid or minimize the formation of Fe2Ti during the production of FeTi to enhance its hydrogen storage properties.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Applied
Qingfang Mu, Kai Zhang, Haipei Zou, Huanling Liu, Yuzhi Song, Chuan-Kui Wang, Lili Lin, Jianzhong Fan
Summary: This study investigates the photophysical properties of four room temperature organic phosphorescence (RTP) materials based on triphenylethylene derivatives as skeletons using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The mechanisms of RTP from the high energy triplet state T2 are revealed, and the insights gained from molecular design and calculations provide explanations and perspectives for RTP emissions.
Review
Chemistry, Physical
Ruilin Hou, Shaohua Guo, Haoshen Zhou
Summary: This review analyzes, for the first time, the temperature-dependent mechanisms and physicochemical properties of interactions between cations, anions, and solvents in low-temperature electrolytes at the atomic level. The research progress in low-temperature electrolytes is summarized based on these interactions, and possible future development directions are pointed out. This review provides a theoretical reference for the design of low-temperature electrolytes.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Riddhimoy Pathak, Prabir Dutta, Ashutosh Srivastava, Divya Rawat, Radha Krishna Gopal, Abhishek K. Singh, Ajay Soni, Kanishka Biswas
Summary: This study demonstrated that Bi1.1Sb0.9Te2S (BSTS) as a 3D bulk TI exhibits ultra-low lattice thermal conductivity and high carrier mobility. Sound velocity measurements and theoretical calculations revealed the underlying reasons, and doping was used to achieve a more promising thermoelectric figure of merit.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Physics, Applied
Ashutosh Srivastava, Madhubanti Mukherjee, Abhishek Kumar Singh
Summary: This study demonstrates the decoupling of electronic and thermal transport in materials by utilizing mixed cations in spinel oxides. The different coordination of cations in spinel oxides allows for separate contributions to electronic and thermal transport. The combination of heavy bands and tetrahedrally coordinated cations leads to enhanced power factor, while the substitution of certain cations reduces lattice thermal conductivity. The achievement of high power factor and low lattice thermal conductivity results in a significantly improved figure of merit in CdCo2O4 spinel oxide. This approach shows potential for enhancing thermoelectric performance.
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Applied
Manoj Dey, Suman Chowdhury, Sonu Kumar, Abhishek Kumar Singh
Summary: This study presents a strategy based on the quantum confinement effect to tune the defect level of hydrogen doping in nanowires. It is found that hydrogen doping behaves as a deep donor in small diameter nanowires and its ionization energy decreases in larger diameter nanowires. This research is of great importance for optimizing doping and defect levels in one-dimensional nanostructured materials.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Prasad Sarma, Renjith Nadarajan, Ritesh Kumar, Riya Mol Patinharayil, Navya Biju, Sreevidya Narayanan, Guanhui Gao, Chandra Sekhar Tiwary, Madhu Thalakulam, Rajeev N. Kini, Abhishek K. Singh, Pulickel M. Ajayan, Manikoth M. Shaijumon
Summary: This study demonstrates the controllable growth of high-quality, ultra-thin triangular flakes of trigonal selenium, which opens up new possibilities for the application of elemental 2D crystals.
Article
Nanoscience & Nanotechnology
Arko Parui, Pooja Srivastava, Abhishek Kumar Singh
Summary: Ti2C(OH)2 MXene is demonstrated to be an efficient electron-coupled proton donor for the direct reduction of gas-phase CO2 to valuable chemicals. It shows high reactivity and selectivity, and can continuously produce products.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Green & Sustainable Science & Technology
Partha Kumbhakar, Arko Parui, Rushikesh S. Ambekar, Madhubanti Mukherjee, Saif Siddique, Nicola M. Pugno, Abhishek K. Singh, Chandra S. Tiwary
Summary: 3D printing technology offers a novel approach for developing energy storage devices with customized electrodes. In this study, a liquid-solid contact electrification-based 3D printed nanogenerator was designed, where raindrops passing through charged ultrathin materials can generate electricity. Increasing the surface area of 3D printed porous structures enhances the efficiency of the nanogenerator.
ADVANCED SUSTAINABLE SYSTEMS
(2022)
Article
Chemistry, Multidisciplinary
Kousik Das, Risov Das, Mohd Riyaz, Arko Parui, Debabrata Bagchi, Ashutosh Kumar Singh, Abhishek Kumar Singh, Chathakudath P. Vinod, Sebastian C. Peter
Summary: Obtaining multi-carbon products from CO2 photoreduction is a challenging catalytic process, but complex design of multicomponent interfaces can lead to unpredictable changes in the interfacial chemical environment. This study presents a novel photocatalyst, Bi19S27Cl3, which selectively converts CO2 to ethanol under visible light. Structural analysis reveals the presence of charge polarized bismuth centers in Bi19S27Cl3, which enhance the separation efficiency of photogenerated electron-hole pairs. In addition, these polarized centers promote the adsorption of CO* intermediates and accelerate the rate determining C-C coupling step.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Rafia Ahmad, Hisato Yasumatsu, Abhishek K. Singh
Summary: The electronic interaction between metal nanoparticles and irreducible supports significantly affects their catalytic performance. In this study, we investigate the relationship between metal-support electronic interactions and catalytic activity using size-selected platinum plates on a reconstructed silicon surface. Our research shows that CO oxidation catalysis on Pt supported on a nonreducible surface is influenced by charge transfer, cluster size, and electronic interactions. We find that Pt30/Si-RS exhibits the highest catalytic activity due to the optimum adsorption of CO and O2. Furthermore, our experimental and computational results demonstrate that Pt30(45)/Si-RS shows superior CO2 production rates at high temperatures and is more active than conventional catalysts.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Partha Kumbhakar, Rushikesh S. Ambekar, Arko Parui, Ajit K. Roy, Debmalya Roy, Abhishek K. Singh, Chandra S. Tiwary
Summary: This work demonstrates the electrical-mechanical coupling phenomena by decorating piezoresponsive atomically thin ZnO nanosheets on a polymer surface using additive manufacturing technology. The output voltage response of the 3D-printed architecture can be regulated by external mechanical pressures. Energy generation is achieved by placing the 3D-printed fabric on a padded shoulder strap, utilizing the mechanical strength and flexibility of the coated structure. The improved charge transfer at the interface enhances the output performance of the 3D-printed fabric.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Physics, Applied
Sayan Prodhan, Kamlesh Kumar Chauhan, Tara Singha, Manobina Karmakar, Nikhilesh Maity, Renjith Nadarajan, Partha Kumbhakar, Chandra Sekhar Tiwary, Abhishek Kumar Singh, Manikoth M. Shaijumon, Prasanta Kumar Datta
Summary: Semiconductors based on group-VI 2D materials, such as bilayer selenium (Se), show potential for optoelectronic applications. This study investigates the carrier dynamics of bilayer 2D Se in one-photon and multi-photon absorption regimes. The results show that the carrier lifetime can be used to predict the photo-responsivity of 2D Se photo-detectors operating in the one-photon-absorption regime. Additionally, bilayer 2D Se exhibits a significant two-photon absorption cross section and can function as a sub-bandgap photo-detector. The study also reveals the dominant carrier recombination process in different absorption regimes, and suggests the possibility of using 2D Se as a saturable absorber material for passive Q-switching.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Garima Tiwari, Gunjan Sharma, Rishi Verma, Pooja Gakhad, Abhishek Kumar Singh, Vivek Polshettiwar, Balaji R. Jagirdar
Summary: Acetylene semi-hydrogenation is a reaction of fundamental and commercial importance. Researchers have successfully synthesized bimetallic Pd-Zn nanoparticles as a catalyst, which showed high selectivity and stability towards acetylene at room temperature and atmospheric pressure.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Gobinda C. Mohanty, Chinmayee C. Gowda, Pooja Gakhad, M. Sanjay, Suman Sarkar, Koushik Biswas, Abhishek Singh, Chandra S. Tiwary
Summary: In order to meet the increasing demand for novel materials in energy storage applications, high entropy alloys (HEAs) have been studied recently. A CoCrNiFeMn bulk HEA sample was synthesized using a simple induction melting method and then ball-milled to obtain nanoparticles. The reduction in dimension provided a larger surface area for sample usage in supercapacitor applications. The highest specific capacitance of 386.66 F g(-1) was achieved at 5 mV s(-1) in a three-electrode system with a 3 M KOH electrolyte. The contribution of d-band electrons from the metals for electrochemical interaction in the system was also studied through DFT calculations. A liquid-state CoCrNiFeMn//activated carbon (AC) asymmetric supercapacitor (ASC) device was fabricated, and the stored energy was used to power a 1.5 V LED device. The ASC device had an energy density of 21 W h kg(-1) at a power density of 307 W kg(-1), which is one of the first reports on HEA-based liquid-state asymmetric devices.
MATERIALS ADVANCES
(2023)
Article
Urology & Nephrology
Abhishek Singh, Chandra Mohan Vaddi, Soundarya Ganesan, Rohan Batra, Paidakula Ramakrishna, Siddalinga Swamy, Hemnath Anandan, Manas Babu, Rakesh Panda, Arvind Ganpule, Ravindra Sabnis, Mahesh Desai
Summary: This study aimed to evaluate the clinical efficiency of TFL in treating large volume stones during retrograde intrarenal surgery. The results showed a positive correlation between stone volume and ablation speed, indicating that higher stone volumes require less energy for ablation. Complication rate was 21.05%, with an overall stone-free rate of 96.05%.
WORLD JOURNAL OF UROLOGY
(2023)
Review
Materials Science, Multidisciplinary
Madhubanti Mukherjee, Ashutosh Srivastava, Abhishek K. Singh
Summary: The rising demand for energy has led to an accelerated search for clean and efficient energy sources. One promising approach is the conversion of waste heat into electrical energy using thermoelectric materials. Designing high-performance thermoelectric materials is challenging due to the interdependence of various transport parameters. Tuning crystal structures and controlling defect chemistry represent breakthroughs in designing next-generation thermoelectric materials. Exploring concepts such as spin-driven transport and unusual transport in organic thermoelectric materials can further improve thermoelectric efficiency. This review provides an overview of advanced approaches for improving thermoelectric efficiency and discusses current investigations in this field.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Akash Singh, Manoj Dey, Abhishek Kumar Singh
Summary: Transition metal dichalcogenides (TMDs) exhibit layer-dependent electrical conductivity, which is attributed to point defects. As the number of layers increases, the donor levels of hydrogen defects become deeper, reducing the n-type conductivity. Additionally, the deep acceptor levels in one-layer TMDs become weak shallow acceptor levels in six-layers. Interestingly, from eight-layers onwards, defect transition levels shift towards the conduction band.