Article
Chemistry, Physical
Brahmananda Chakraborty, Pratap Mane, Antara Vaidyanathan
Summary: This study investigates the potential of Sc-decorated graphitic carbon nitride for reversible hydrogen storage through Density Functional Theory simulations. The results show that Sc atoms strongly bind to the g-C3N4 structure and can reversibly bind 7 molecules of hydrogen, meeting the requirements for onboard hydrogen storage. The structural integrity and interaction mechanisms of Sc-g-C3N4 are also analyzed, indicating that it may be a high-performance material for reversible hydrogen storage applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Electrochemistry
Prathap Iyapazham Vaigunda Suba, Muhammad Shoaib, Oanh Hoang Nguyen, Kunal Karan, Stephen R. Larter, Venkataraman Thangadurai
Summary: Flexible, scalable, and low-cost energy storage solutions are crucial for the widespread adoption of renewable energy and addressing climate change. This paper presents an innovative battery design approach using Bi/BiOCl and V4+/V5+ reaction-based redox couples in a gel-based architecture, offering a promising solution for grid-scale energy storage.
BATTERIES & SUPERCAPS
(2023)
Article
Chemistry, Physical
Preeti Beniwal, Thogluva Janardhanan Dhilip Kumar
Summary: Hydrogen has the potential to be a green energy source for cars, but the lack of effective hydrogen storage materials is a major obstacle. This study explores the hydrogen storage capacity and reversibility of the Ti-functionalized metal carbyne framework (MCF) with carbyne as an organic linker and Mg4O as an inorganic moiety. The Ti-functionalized MCF can adsorb up to five H-2 molecules per Ti atom with adsorption energy within the range specified by the DOE. The proposed Ti-functionalized MCF shows high gravimetric density and reversibility, making it a potential hydrogen storage medium meeting DOE standards.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Energy & Fuels
Saravanan Rajendran, Lalitha Gnanasekaran, Tuan K. A. Hoang, D. E. Diaz-Droguett, F. Gracia, M. A. Gracia-Pinilla
Summary: This study synthesized a TiO2@SnO2 catalyst through the integration of sol-gel and thermal decomposition methods, which exhibited significantly enhanced hydrogen adsorption. The composite demonstrated a mesoporous nanostructure with hindered pores by SnO2. The oxidation states of TiO2 also played a crucial role in hydrogen adsorption.
Article
Chemistry, Physical
Anil Boda, Ashish Kumar Singha Deb, Sk Musharaf Ali, K. T. Shenoy
Summary: This study investigates the micro-adsorption of hydrogen isotopes on uranium metal using density functional theoretical (DFT) analysis. The results show that the reversible adsorption of hydrogen molecules may be favored with uranium metal. Additionally, the study predicts the largest metal polyhydride and measures its gravimetric density.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Praphatsorn Plerdsranoy, Natthaporn Thaweelap, Yingyot Poo-arporn, Patcharaporn Khajondetchairit, Suwit Suthirakun, Ittipon Fongkaew, Narong Chanlek, Oliver Utke, Autchara Pangon, Rapee Utke
Summary: By doping Ni into a hierarchical carbon scaffold with multi-porous structures, this study achieved efficient hydrogen storage at ambient temperature with high reversibility and electrical production performance. Strong interactions between Ni and heteroatoms led to the uniform distribution of Ni, increasing the reactive surface area for hydrogen adsorption.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Yuehuan Cheng, Xinguo Ma, Chuyun Huang, Gang Yuan, Jiajun Liao
Summary: The effect of functional groups (O, F, or OH) on the hydrogen storage properties of Ti2X (X = C or N) monolayer was systematically investigated. It was found that Ti2X(OH)2 monolayer has a larger reversible hydrogen storage capacity than Ti2XO2 and Ti2XF2 monolayers. The binding energy of the OH group at the F site is stronger than the binding energy of H atom, indicating that H2 molecules will not dissociate on Ti2X(OH)2 monolayer. Molecular dynamic simulation showed stable adsorption and desorption of H2 molecules on Ti2X(OH)2 monolayer through Dewar-Kubas interaction at suitable temperatures. Therefore, Ti2X(OH)2 monolayer is a promising reversible hydrogen sorbent storage material under ambient conditions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Nanoscience & Nanotechnology
Mukesh Singh, Alok Shukla, Brahmananda Chakraborty
Summary: This study explores the application of yttrium decorated ultra porous, two-dimensional holey-graphyne for hydrogen storage. The simulations show that the material can adsorb a high amount of hydrogen and has a high gravimetric hydrogen weight percentage, as well as suitable binding energy and desorption temperature. Therefore, yttrium doped holey graphyne is a promising material for fabricating high-capacity hydrogen storage devices.
Article
Chemistry, Inorganic & Nuclear
Kaiji Uchida, Naoki Kishimoto, Shin-ichiro Noro, Hiroaki Iguchi, Shinya Takaishi
Summary: Reversible H-2 adsorption property in the solid state was studied using the 16-electron precursor complex, showing ideal Langmuir type reversible adsorption in one synthesis method and irreversible adsorption in another. The absence of agostic interaction in the solid state was found to be the reason for the difference in adsorption enthalpy compared to the THF solution.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Multidisciplinary
Andrei Iliescu, Justin L. Andrews, Julius J. Oppenheim, Mircea Dinca
Summary: In this study, a new metal-organic framework material Zn-3[(Zn4Cl)(3)(BTT)(8)](2) with an anionic sodalite-like structure was synthesized and characterized. The material, ZnZnBTT, showed promising Zn-ion conductivity, making it a potential candidate for quasi-solid-state zinc-ion batteries.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Chemistry, Inorganic & Nuclear
Ting-Feng Yi, Liying Qiu, Jin-Peng Qu, Hongyan Liu, Jun-Hong Zhang, Yan-Rong Zhu
Summary: Vanadium oxides-based materials are considered promising cathode materials for AZIBs, with hydrated and co-preinserted cations showing enhanced electrochemical performance. Extensive research has been done on various efficient ways to improve the performance of these materials. The review provides insights into future developments and challenges in the field of vanadium oxides-based compounds for AZIBs.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Physical
Daughty John, Bijoy Nharangatt, Srihari Madhav Kastuar, Raghu Chatanathodi
Summary: The presence of defects in blue phosphorene can lead to changes in its electronic structure and hydrogen storage capacity, with lower formation energies for vacancies and potential for enhanced hydrogen storage compared to other 2D materials. Metal decoration on defective blue phosphorene can increase hydrogen storage capacity, with stable structures at room temperature, making it a promising candidate for hydrogen storage applications. Comparing with defective black phosphorene, defective blue phosphorene shows higher hydrogen storage capacity.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Dimy Nanclares, Alysson F. Morais, Thaina Calaca, Ivan G. N. Silva, Danilo Mustafa
Summary: In this study, a novel class of lanthanide-doped self-supported layered double hydroxide nanotubes with a combination of micro- and mesoporosity was reported. These nanotubes were synthesized using a soft-templating strategy, with an antenna molecule hosted in their micropores emitting light in a range of wavelengths upon UV excitation.
Article
Biochemistry & Molecular Biology
Krystina E. Lamb, Colin J. Webb
Summary: Hydrogen storage is important for transitioning to cleaner energy systems. Metal hydride materials, such as core-shell V90Al10-Pd80Ag20, could increase hydrogen storage density and decrease compression costs. This article evaluates the technical viability of V90Al10-Pd80Ag20 and compares its hydrogen-storage capacity to other materials.
Article
Chemistry, Physical
Xiudong Chen, Hang Zhang, Jin-Hang Liu, Yun Gao, Xiaohua Cao, Changchao Zhan, Yawei Wang, Shitao Wang, Shu-Lei Chou, Shi-Xue Dou, Dapeng Cao
Summary: This review summarizes the latest progress in vanadium-based cathodes for AZIBs, presents several energy storage mechanisms, discusses the relationship between material structure and electrochemical activity, addresses the challenges, and provides perspectives for future development of vanadium-based cathode materials.
ENERGY STORAGE MATERIALS
(2022)
Article
Engineering, Environmental
Saravanan Rajendran, Rekha Pachaiappan, Tuan K. A. Hoang, Sekar Karthikeyan, Lalitha Gnanasekaran, S. Vadivel, Matias Soto-Moscoso, M. A. Gracia-Pinilla
Summary: Recent interest and responsibility in protecting water resources have led scientists to develop mechanisms using sustainable resources like sunlight to remove pollutants from water. Utilizing unique materials and studying semiconductor structures are key in achieving photocatalytic degradation of water pollutants under visible light excitation.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Correction
Nanoscience & Nanotechnology
Longyan Li, Tuan K. A. Hoang, Jian Zhi, Mei Han, Shengkai Li, Pu Chen
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Environmental Sciences
R. Suresh, Saravanan Rajendran, Tuan K. A. Hoang, Dai-Viet N. Vo, Mohammad Nahid Siddiqui, Lorena Cornejo-Ponce
Summary: Current research focuses on utilizing green synthesized photocatalysts and biopolymers to reduce the impact of pollutants on the environment, with a particular emphasis on the role of biopolymers in photocatalysis.
ENVIRONMENTAL RESEARCH
(2021)
Article
Biochemistry & Molecular Biology
Robert Szczesny, Tuan K. A. Hoang, Liliana Dobrzanska, Duncan H. Gregory
Summary: In this study, an alternative strategy for preparing nanoscale Cu3N was described. Copper(II) oxide/hydroxide nanopowder precursors were successfully fabricated by solution methods. Cu3N particles with diverse morphologies were synthesized from oxygen-containing precursors in two-step processes, demonstrating the potential for preparing Cu3N/SiO2 nanocomposites.
Article
Chemistry, Physical
Alireza Zehtab Yazdi, Jian Zhi, Min Zhou, Tuan K. A. Hoang, Mei Han, Longlong Ma, Tao Zheng, Denian Li, P. Chen
Summary: This study successfully addressed the industrial-level fast charging Li-ion batteries, using a green approach to demonstrate the high electrochemical activity of LiMn2O4 in hybrid aqueous batteries, achieving excellent capacity values without obvious fading.
ACS APPLIED ENERGY MATERIALS
(2021)
Review
Environmental Sciences
Saravanan Rajendran, T. A. K. Priya, Kuan Shiong Khoo, Tuan K. A. Hoang, Hui-Suan Ng, Heli Siti Halimatul Munawaroh, Ceren Karaman, Yasin Orooji, Pau Loke Show
Summary: Heavy metal pollution is a global environmental challenge that poses a significant threat to human life. Various methods have been explored to eliminate heavy metal pollutants from the environment, but are constrained by high expenses, processing duration, geological problems, and political issues. The immobilization of metals, phytoextraction, and biological methods have proven practical in treating metal contaminants from the soil.
Article
Environmental Sciences
A. K. Priya, V Yogeshwaran, Saravanan Rajendran, Tuan K. A. Hoang, Matias Soto-Moscoso, Ayman A. Ghfar, Chinna Bathula
Summary: This study investigated the potential use of rice husk powder as a biosorbent for the removal of heavy metal ions from aqueous solutions. The experimental results showed that under optimized conditions, rice husk powder could effectively remove Cr, Pb, and Zn metal ions with high efficiency. The adsorption process followed the Temkin and D-R isotherm model and Elovich model for kinetic data. Based on the findings, rice husk powder could be considered as a low-cost and efficient adsorbent for heavy metal ion removal from industrial effluent.
Article
Environmental Sciences
Lalitha Gnanasekaran, Rekha Pachaiappan, P. Senthil Kumar, Tuan K. A. Hoang, Saravanan Rajendran, D. Durgalakshmi, Matias Soto-Moscoso, Lorena Cornejo-Ponce, F. Gracia
Summary: This study focuses on improving the treatment of industrial waste and harmful bacteria by tuning the band gap of the TiO2 catalyst, and discusses the mechanism and results of photocatalytic and antibacterial activities in detail.
ENVIRONMENTAL POLLUTION
(2021)
Article
Chemistry, Inorganic & Nuclear
Brooklyn P. Fedoretz-Maxwell, Catherine H. Shin, Gregory A. MacNeil, Liam J. Worrall, Rachel Park, Natalie C. J. Strynadka, Charles J. Walsby, Jeffrey J. Warren
Summary: The interplay between the primary and secondary coordination spheres is essential for controlling the properties of biological metal sites. This study investigates the second-sphere environments in biological Met-Cu motifs and explores the impact of the second-sphere interactions on Cu properties using artificial azurin proteins. The results reveal the importance of these widely distributed interactions in controlling the physical properties of copper proteins.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Gregory A. MacNeil, Stephanie W. Chang, Kathleen E. Prosser, Eric Ye, Devon Heroux, Andrew R. Lewis, Marcel Bally, Charles J. Walsby
Summary: The study demonstrates the application of CF3-labeled Ru(iii) anticancer complexes for magnetic resonance (MR) imaging of tumour tissues. By combining anatomical chemical-shift selective (CHESS) imaging with F-19 chemical-shift imaging (CSI) MR methods, it is shown that oxidation states and ligand-exchange processes of the complexes can be spatially encoded. Measurements on different tissue models, including a human breast adenocarcinoma tumour, validate the application of these complexes as MR theranostics for the sensing and targeting of hypoxia.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Glen. G. G. Briand, Tanner George, Gregory. A. A. MacNeil, Jason. D. D. Masuda, Brian. J. J. MacLean, Michael W. R. Mosher, Gregory. M. M. Sandala, Padmapriya Srinivasan, Alexander. H. H. Stockli, Rachel. L. L. Vanderkloet, Charles. J. J. Walsby
Summary: Organoindium compounds with redox active 1,2-benzenedithiolate and 2-amidobenzenethiolate ligands were synthesized and tested for reactivity against mild oxidants. The reactivity of these compounds varied with different oxidants and exhibited structural differences.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Briana R. Schrage, Wen Zhou, Laurel A. Harrison, Dustin E. Nevonen, John R. Thompson, Kathleen E. Prosser, Charles J. Walsby, Christopher J. Ziegler, Daniel B. Leznoff, Victor N. Nemykin
Summary: This article reports on the properties of the reduction of iron(II) phthalocyanine and the resulting species. The study found that the reduced species have a purple/red color and possess a single unpaired electron with a magnetic moment. Additionally, through experiments and calculations, the spectral characteristics of these species were confirmed, resolving previous controversies.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Stephen Mensah, Joseph D. Rosenthal, Mamta Dagar, Tyson Brown, Jonathan J. Mills, Christopher G. Hamaker, Gregory M. Ferrence, Michael I. Webb
Summary: The evolution of high virulence bacterial strains has led to the development of novel therapeutic agents. Metal-based therapeutics, with their structural variability and unique modes of action, show great promise. This study focused on the preparation and evaluation of ruthenium(ii)-arene complexes containing Schiff base ligands with an attached ferrocene, and identified a complex with prominent activity against clinically relevant bacterial strains.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Aryan Houshmand, Devon Heroux, Dennis Y. Liu, Wen Zhou, Roger G. Linington, Marcel Bally, Jeffrey J. Warren, Charles J. Walsby
Summary: This study investigates the synthesis of novel organic compounds by appending ferrocene to coumarin and anthraquinone. The resulting compounds exhibit cytotoxicity through the generation of toxic reactive oxygen species. The compounds show significant increase in ROS and cytotoxicity in breast cancer cells, but no antibacterial activity.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Physical
Van Hoang Nguyen, Tuan K. A. Hoang, Yasuyoshi Kurokawa, Noritaka Usami
Summary: The solute PEDOT:PSS as a passivation material for c-Si can significantly prolong the carrier lifetimes of c-Si, and optimizing the fabrication process can develop excellent passivation materials that are easy to operate, reproducible, and environmentally friendly.
SUSTAINABLE ENERGY & FUELS
(2021)