Article
Chemistry, Physical
Brinti Mondal, Ajit Kundu, Brahmananda Chakraborty
Summary: The hydrogen storage capacity of Zr decorated ZTC has been studied using DFT simulations, and the results show strong bonding between Zr and ZTC. Each Zr atom can bind to 7 H2 molecules with high binding energy, exceeding the limit set by the DoE. Molecular dynamics simulations confirm the structural integrity, and calculations suggest that diffusion energy barriers prevent metal clustering. Therefore, Zr decorated ZTC shows promise as a hydrogen storage material for fuel cell applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Inorganic & Nuclear
Jin-Hua Liu, Qiu-Tong Shen, Jin Yang, Ming-Yue Yu, Jian-Fang Ma
Summary: Two new polyoxometalate-templated metal-organic frameworks were successfully synthesized using a bowl-like tetra(benzimidazole)resorcin[4]arene ligand. An innovative method to enhance conductivity was proposed by loading the samples onto a polypyrrole-reduced graphene oxide composite. The resulting composites showed improved electrochemical performance in lithium-ion batteries, highlighting the potential of these functional materials in energy applications.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Ajit Kundu, Ravi Trivedi, Nandini Garg, Brahmananda Chakraborty
Summary: The hydrogen storage capacity of Yttrium (Y) decorated zeolite templated carbon (ZTC) has been investigated, and it was found that the decorated ZTC has a high hydrogen storage capacity and good stability at high temperature, making it a promising material for hydrogen energy storage. The study also revealed that the Kubas interaction plays a key role in the interaction between Y and H2 molecules.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Samuel S. Hardisty, Kobby Saadi, Samala Nagaprasad Reddy, Ilya Grinberg, David Zitoun
Summary: Catalyst poisoning and leaching is a common issue in catalyst applications. In the case of hydrogen bromine redox flow battery, the degradation of the hydrogen oxidation/evolution catalyst caused by bromide ions crossing the membrane hinders its performance. However, the synthesis of Pt nanoparticles inside single-walled carbon nanotubes has been proven to enhance the stability and activity of the catalyst.
MATERIALS TODAY ENERGY
(2022)
Article
Chemistry, Physical
Mohanapriya Subramani, Deepak Arumugam, Shankar Ramasamy
Summary: In this study, the quantum chemical method was used to investigate the hydrogen storage behavior on Pt (n = 1-4) cluster decorated C48H16 sheet. The results showed that the Pt (n = 1-4) clusters were strongly bonded to the surface of C48H16 sheet, and the charge transfer from Pt (n = 1-4) to C48H16 created an empty orbital for hydrogen adsorption. Molecular hydrogen was initially adsorbed through Kubas interaction, and then dissociative hydrogen adsorption occurred. External electric fields could enhance or weaken the adsorption ability.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Correction
Chemistry, Multidisciplinary
Eric Masika, Robert Mokaya
Summary: The study demonstrates exceptional gravimetric and volumetric hydrogen storage properties for densified zeolite templated carbons with high mechanical stability, as reported by Eric Masika et al.
ENERGY & ENVIRONMENTAL SCIENCE
(2021)
Article
Chemistry, Physical
Pawan K. Soni, A. Bhatnagar, V Shukla, M. A. Shaz
Summary: Graphene templated Ti-Ni-Fe nanoparticles (TieNieFe@Gr) exhibit excellent catalytic effect on the de/re-hydrogenation characteristics of MgH2, lowering the onset desorption temperature and improving cycling performance. Analysis suggests possible electronic exchange between the catalyst and Mg/MgH2. Anchoring on the graphene template prevents agglomeration that would be detrimental to cycling performance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Applied
Xuhui Wang, Shuaiqi Chen, Jianchuan Sun, Dehao Zhang, Zhihui Yan, Xiangyu Xu, Jiaqing Song
Summary: Mesoporous carbon materials synthesized through alumina-templated strategy exhibit large BET surface area, pore volume, and pore size, leading to high adsorption capacity for RhB. The kinetics module fits pseudo-second-order kinetic model and Langmuir model, showing potential for toxic dye wastewater treatments.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Physical
Zizhen Li, Yuan Yao, Xinyu Gao, Hongcun Bai, Xiangchao Meng
Summary: Sulfur doping and Pt NPs modification significantly enhance the photocatalytic hydrogen production activity of C3N4, mainly through optimizing band structure, providing reactive sites, enhancing light absorption capacity, absorbing more photons, and inhibiting recombination of photogenerated charge carriers.
MATERIALS TODAY ENERGY
(2021)
Article
Chemistry, Physical
Yixuan Wang, Jianpeng Sun, Yuan Yao, Zizhen Li, Xiangchao Meng
Summary: In this study, g-C3N4 nanosheets were successfully synthesized and different metal nanoparticles were deposited on their surface, significantly enhancing the photocatalytic hydrogen production activity. Pt-loaded g-C3N4 nanosheets exhibited the highest hydrogen production activity, and the maximum hydrogen production rate was achieved under external bias. The research discussed and explained the enhancement mechanism in detail.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Maria Kapsi, Charitomeni M. Veziri, George Pilatos, Georgios N. Karanikolos, George E. Romanos
Summary: This study demonstrates the growth of carbon nanotubes as adsorbents and membranes for hydrogen storage and selective separation. The materials exhibit precise pore sizes and monodispersity, making them promising for practical applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Peng Gao, Ji-wen Li, Jie Zhang, Guangzhao Wang
Summary: The study demonstrates that a monolayer material based on carbon nitride decorated with magnesium has high hydrogen storage performance, efficiently adsorbing hydrogen molecules with a capacity close to 8 wt%, which exceeds the target value. This material may become a promising carbon-based energy storage material.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Imteaz Ahmed, Keshab K. Adhikary, Kyoungsoo Kim, Wha-Seung Ahn
Summary: The nBTC showed excellent adsorption performance with high adsorption capacity and recyclability, demonstrating significant removal efficiency for organic pollutants in water.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Celal Utku Deniz
Summary: Using GCMC simulations, the hydrogen storage performance of 68 stable ZTCs was evaluated, with RHO showing the highest H2 uptake under certain conditions. The results demonstrate the potential of ZTCs as lightweight hydrogen storage media for the future.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Review
Green & Sustainable Science & Technology
Yan Yang, Lige Tong, Shaowu Yin, Yuxin Liu, Li Wang, Yinan Qiu, Yulong Ding
Summary: This paper reviews the status and challenges of hydrogen application paths in high carbon emission sectors, discussing the potential contribution and reduction in carbon emissions achievable by replacing primary energy and transitioning to a hydrogen economy. Key technologies for hydrogen production, storage, and carbon footprint in the industry chain are also discussed. The study emphasizes the importance of cost-effective blue hydrogen and the need to breakthrough in hydrogen storage technologies suitable for large-scale and low energy consumption.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Chemistry, Physical
Rupak Kishor, Sohan Bir Singh, Aloke Kumar Ghoshal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2018)
Article
Materials Science, Multidisciplinary
Sohan Bir Singh, Mahuya De
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
(2018)
Article
Materials Science, Multidisciplinary
R. M. Dey, S. K. Deshpande, S. B. Singh, N. Chand, D. S. Patil, S. K. Kulkarni
BULLETIN OF MATERIALS SCIENCE
(2013)
Article
Materials Science, Coatings & Films
S. B. Singh, A. K. Poswal, M. Pandey, R. B. Tokas, N. Chand, S. Dhara, B. Sundaravel, K. G. M. Nair, N. K. Sahoo, D. S. Patil
SURFACE & COATINGS TECHNOLOGY
(2009)
Article
Materials Science, Multidisciplinary
S. B. Singh, N. Chand, D. S. Patil
Article
Materials Science, Multidisciplinary
R. Kar, S. A. Barve, S. B. Singh, D. N. Barve, N. Chand, D. S. Patil
Article
Energy & Fuels
Sohan Bir Singh, Mahuya De
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2019)
Article
Materials Science, Multidisciplinary
A. Sudhakar Rao, B. Venkateswarlu, V. V. Hanuman, S. B. Singh, K. Laxmana Prasad, P. Anitha
MATERIALS CHEMISTRY AND PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
Sohan Bir Singh, Mahuya De
MATERIALS CHEMISTRY AND PHYSICS
(2020)
Article
Chemistry, Inorganic & Nuclear
N. Premjit Singh, N. Ramananda Singh, Y. Rangeela Devi, Brojendro Sh Singh, Th David Singh, N. Rajmuhon Singh, N. Mohondas Singh
SOLID STATE SCIENCES
(2020)
Article
Chemistry, Applied
Sohan Bir Singh, Mahuya De
Summary: This study compared the effects of different gaseous environments on the physiochemical properties and hydrogen storage ability of thermally exfoliated graphene oxide (EGO). It found that the EGO prepared in oxidative or reducing atmosphere had a more conducive exfoliation of layers, while the inert atmosphere (argon) caused severe thermal separation of layers and functional groups. EGO prepared in air had the highest surface area, O/C ratio, and considerable pore volume, resulting in the highest hydrogen uptake.
JOURNAL OF POROUS MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Sohan Bir Singh, Mahuya De
Summary: This study found that the addition of platinum, nickel, and palladium can improve the hydrogen uptake capacity of reduced and exfoliated graphene oxides, but the effect depends on the type of metal and preparation method. Platinum had minimal impact on the structure of graphene oxides, while nickel and palladium additions significantly altered their structural properties.
JOURNAL OF MATERIALS RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Sohan Bir Singh, Seyed A. Dastgheib
Summary: The water removal from graphene oxide (GO) was investigated through different heating pathways, and the physicochemical characteristics of GO samples at each stage were analyzed. It was found that direct and rapid heat treatment at 200°C is the most effective option for developing a porous structure.
Article
Materials Science, Multidisciplinary
P. Majumdar, S. B. Singh, U. K. Chatterjee, M. Chakraborty
Article
Chemistry, Applied
Lulu Wan, Gan Ye, Yuying Chang, Zhaohan Yang, Guangming Shi, Qiuli Zhang, Jin Wang
Summary: This study developed an efficient approach to upgrade the oxidative desulfurization (ODS) performance of Zr-MOFs with proton stimulation. Experimental results showed that the introduction of protons can significantly improve the ODS efficiency. This work provides a facile and efficient strategy for enhancing the ODS performance of pristine MOFs.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Qiqi Lu, Xiu-Zhi Wei, Qi Zhang, Xinghua Zhang, Lungang Chen, Jianguo Liu, Yubao Chen, Longlong Ma
Summary: The application of Pd-M bimetallic clusters in the selective hydrogenation reaction was investigated, and the Pd0.6Ni@S-1 catalyst was found to exhibit high selectivity in the conversion of phenylacetylene to styrene. The confinement effect of zeolite inhibited over-hydrogenation and improved the stability of the catalysts. Furthermore, the solvent properties also influenced the product distribution.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Review
Chemistry, Applied
Bo Li, Lumin Hong, Changdi Jing, Xianyang Yue, Huabo Huang, Qianqian Jiang, Jianguo Tang
Summary: MOF materials with adjustable pore structure and polymetallic sites have been explored as electrocatalysts for OER. Bimetallic materials show higher electrocatalytic activity than monometallic materials, while carbon-coated and doped MOF catalysts exhibit stable and good OER activity. The synergistic interaction between polymetallic active sites effectively improves the intrinsic activity of MOF on OER.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shichun Gu, Ruyi Wang, Junxiong Zhang, Hairong Dong, Liping Deng, Xue Wang, Yapeng He
Summary: In this study, monodispersed hollow mesoporous organosilica nanospheres with controlled core cavity and mesoporous shell were successfully synthesized. These hollow nanospheres showed a high adsorption capacity for Pb2+ in water solution and exhibited acceptable recycling and stability.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Lucie Havelkova, Bogdana Bashta, Michaela Vankova, Jiri Zednik, Jiri Brus, Jan Svoboda, Alice Vagenknechtova, Jan Sedlacek
Summary: An atom-economic one-step chain-growth coordination homopolymerization providing high yields of functionalized hyper-cross-linked polyacetylenes with a permanent micro/mesoporous texture and a BET area of up to 1062 m2/g is reported. The homopolymerization is highly compatible with the heteroatom groups of the monomers and allows the preparation of well-defined porous networks with a wide spectrum of univalent groups.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Shirui Pang, Yuxin Liu, Zhe Zhang, Yuxin Li, Chunguang Li, Zhan Shi, Shouhua Feng
Summary: This study focuses on using a functional separator to suppress the shuttle effect of soluble lithium polysulfides in Li-S batteries. It is found that the functionalized sulfonic acid group not only accelerates the conduction of lithium ions, but also repels polysulfide anions through electrostatic interactions. The performance of the batteries is significantly improved with the use of this functionalized separator.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Pingping Li, Lei Han, Donghun Kim, Kemal Celebi
Summary: This study presents a fast synthetic strategy for the preparation of high-quality platelike MFI crystals using a thin-wall tubular reactor. The strategy is efficient, time-saving, and can be optimized, making it applicable to the preparation and optimization of other important materials.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Haitao Yin, Wei Wang, Yuxin Li, Hu Wen, Shuang Chen, Nanzhe Jiang
Summary: This study presents a template-free and solid-state-like crystallisation method for the synthesis of ZSM-5 zeolite, which can be scaled-up in production. Mechanical mixing of starting material components improves the dispersion of materials, leading to ZSM-5 zeolite with high crystallinity and size uniformity.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Congli Li, Jiang Wang, Zhenfei Wang, Jinxiang Dong, Qi Shi
Summary: This study investigates the evolution and autoreduction behavior of Cu species in CuCl/NaY adsorbent during vacuum thermal activation. It is found that Cu species migrate from supercages to the nearby plane of the six-membered ring connecting the supercage and sod cage during vacuum activation. At 150 degrees C, vacuum autoreduction occurs, resulting in the formation of Cu+Cl- species. The results provide reference for the preparation of pi-complex adsorbents.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Irena Khatrin, Iman Abdullah, Alan J. Mccue, Yuni K. Krisnandi
Summary: Hierarchical porous system with two types of mesopores provides a solution to the diffusion limitation in conventional zeolites. Cobalt oxide impregnated hierarchical ZSM-5 zeolite samples with intra- and inter-crystalline mesopores were synthesized using two different strategies. The physicochemical properties of the modified catalysts were analyzed, revealing distinct features given by the two mesoporous configurations. Catalytic activity analysis showed that Co-oxide/ZSM-5 with inter-crystalline mesopores exhibited higher activity in methane partial oxidation reaction compared to Co-oxide/ZSM-5 with intra-crystalline mesopores.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Nataliia Reinders, Martin Durovic, Pavla Honcova, Zaneta Dohnalova, Jana Luxova, Stanislav Slang, Jhonatan Rodriguez-Pereira, Petra S. Sulcova
Summary: This study presents a new method for preparing a microporous Ni2P/C catalyst with high catalytic activity. The redox reaction and carbon matrix formation during high-temperature treatment contribute to the stability and activity of the catalyst. Experimental and analytical results suggest that the microporous structure of the composite plays a crucial role in its catalytic performance. These findings are important for practical applications of efficient hydrogen production by water electrolysis.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Ana Raquel Bertao, Viktoriya Ivasiv, Cristina Almeida-Aguiar, Patricia R. Correia, Antonio M. Fonseca, Manuel Banobre-Lopez, Fatima Baltazar, Isabel C. Neves
Summary: This study developed a zeolite-based delivery system (ZDS) using silver and 5-Fluorouracil as antimicrobial and antineoplastic agents. The ZDS was characterized and its antimicrobial properties were investigated, showing better antibacterial effectiveness for the ZDS containing both silver and 5-FU.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Naonobu Katada, Nobuki Ozawa, Etsushi Tsuji, Keigo Kanehara, Akiho Otsuka, Taiga Sakamoto, Kirari Umezawa, Hitoshi Matsubara, Satoshi Suganuma, Momoji Kubo
Summary: First principles calculations were used to investigate the pathway for methylation of benzene with methane catalyzed by MFI type zeolite-supported Co species. The strong adsorption of benzene on Co is found to lower the activation energy for methane dissociation and promote the formation of toluene precursor. The activation energy of methane dissociation is also affected by the Al-Al distance.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Yuan Liu, An T. Ta, Kyoung Chul Park, Shenyang Hu, Natalia B. Shustova, Simon R. Phillpot
Summary: We use density functional theory to investigate the interactions of cerium, americium, and curium cations with crown ethers. Our results demonstrate that crown ethers can capture cerium, americium, and curium ions, and modifying the crown ether structure by substituting nitrogen atoms for oxygen atoms significantly increases their binding energies with radionuclides.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)
Article
Chemistry, Applied
Zhengwu Peng, Shixing Wang, Yihui Wu, Xiang Liu, Hongliang Liu, Dekun Zhang, Likang Fu
Summary: An efficient adsorbent for recovery of germanium was prepared and characterized in this study. The adsorption behavior of Ge(IV) on the adsorbent was analyzed, and the results showed that it follows pseudo-secondary kinetic model and Langmuir isotherm model. The adsorbent exhibited good anionic anti-interference ability and can still maintain high adsorption efficiency after repeated adsorption.
MICROPOROUS AND MESOPOROUS MATERIALS
(2024)