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
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
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
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
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
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
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, Multidisciplinary
Shen Hu, Junru Liu, Guanghua Ye, Xinggui Zhou, Marc-Olivier Coppens, Weikang Yuan
Summary: A generalizable strategy has been developed to quantify the effect of surface barriers on zeolite catalysis using isomerization of n-pentane as a model system. Surface modification by SiO2 deposition was found to reduce surface barriers, improve diffusion, and increase catalytic activity of Pt/Beta catalyst. These results demonstrate that reducing surface barriers can effectively enhance zeolite catalyst performance affected by transport limitations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Young Hoon Cha, Sungyong Mun, Ki Bong Lee
Summary: In this study, NaY-zeolites were modified by combining Cu ion-exchange and Na2O or CuO impregnation for adsorptive desulfurization. The results showed that Na2O promoted the adsorption of TBM, while CuO inhibited it. Among the tested samples, the Cu ion-exchanged Y-zeolite containing Na2O showed the most efficient adsorption performance with a 3.97 wt% uptake for TBM, which is 30% higher than that of the Cu ion-exchanged Y-zeolite. The Cu ion-exchanged Y-zeolite containing CuO showed the lowest adsorption ability with a 2.21 wt% uptake for TBM.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Michal Lach, Agnieszka Grela, Kinga Plawecka, Martin Duarte Guigou, Janusz Mikula, Norbert Komar, Tomasz Bajda, Kinga Korniejenko
Summary: This paper presents the surface modification studies of synthetic zeolites and their characteristics. The results show that modification with Ca ions and HDTMA surfactant only improves the sorption of sulfates. The zeolite material without modification exhibits good release capacity, indicating its potential use as fertilizer additives.
Article
Engineering, Environmental
Yingshu Liu, Xiaoyong Wu, Xiong Yang, Haiyang Tao, Jinjuan Li, Chuanzhao Zhang, Ralph T. Yang, Ziyi Li
Summary: This study successfully improved the NOx adsorption performance of Cu-ZSM-5 zeolites using a simple and rapid modification method, while reducing the cost of desorption energy. The researchers found that under wet gas stream conditions, the properly-loaded IM sample exhibited significant NO2 desorption characteristics. The study also revealed the advantages of the optimized IM sample in terms of diverse adsorbate states and competitiveness towards water, indicating the potential of the IM method as a sorbent improvement strategy in practical applications.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Sepehr Nafissi, Nasim Hassani, Afshan Mohajeri
Summary: This study investigates the sequential hydrogen loading process of Ti-11, binary Ti10V, and Ti6VAl4 alloy clusters to understand the effect of alloying on the hydrogen adsorption mechanism. The results show that the adsorption behavior is similar among pure and alloy clusters, with three phases of adsorption. However, the adsorption energies of Ti6VAl4 are much smaller, making it a suitable hydrogen storage medium at ambient temperature and pressure.
JOURNAL OF CLUSTER SCIENCE
(2023)
Article
Engineering, Environmental
Zixuan Wu, Yuchun Fang, Junjie Zhou, Kai Wang, Bin Tan, Jian Zhou
Summary: In recent years, there has been great interest in the development of an adsorbent for the removal of ammonium (NH4+-N), which is characterized by high selectivity, high adsorption capacity, simplicity of use, low cost and environmental friendliness. This study focuses on the modification of natural zeolite using succinic acid, which significantly enhances the NH4+-N adsorption capacity and demonstrates outstanding stability and reusability. In addition, a modified porous zeolite pellet with low wear rate and long service life was prepared.
JOURNAL OF WATER PROCESS ENGINEERING
(2022)
Article
Chemistry, Physical
Lidia Bandura, Monika Bialoszewska, Tiina Leiviska, Malgorzata Franus
Summary: Modification of zeolites with beta-cyclodextrin enhances their adsorption efficacy towards tetracycline antibiotic in aqueous solutions. The study reveals that the amount of cyclodextrin attached to the zeolites plays a crucial role in the adsorption process, with hydrogen bonding formation being the main mechanism.
Article
Metallurgy & Metallurgical Engineering
Chao Han, Ying-Hua Wei, Hai-Feng Zhang, Zheng-Wang Zhu, Jing Li
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2019)
Article
Nanoscience & Nanotechnology
Xinglai Zhang, Jing Li, Wenjin Yang, Bing Leng, Pingjuan Niu, Xin Jiang, Baodan Liu
ACS APPLIED MATERIALS & INTERFACES
(2019)
Article
Chemistry, Analytical
Qingyun Liu, Jing Li, Wenjin Yang, Xinglai Zhang, Cai Zhang, Christophe Labbe, Xavier Portier, Fei Liu, Jinlei Yao, Baodan Liu
ANALYTICA CHIMICA ACTA
(2020)
Article
Nanoscience & Nanotechnology
Jing Li, Wenjin Yang, Aimin Wu, Xinglai Zhang, Tingting Xu, Baodan Liu
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Chemistry, Physical
Sajian Wu, Jing Li, Wuhui Li, Shi Liu
JOURNAL OF ALLOYS AND COMPOUNDS
(2020)
Article
Engineering, Civil
Jianyun Chen, Xiangyu Cao, Qiang Xu, Jing Li
KSCE JOURNAL OF CIVIL ENGINEERING
(2020)
Article
Engineering, Civil
Jianyun Chen, Pengfei Liu, Qiang Xu, Jing Li
ENGINEERING STRUCTURES
(2020)
Article
Engineering, Civil
Jianyun Chen, Lijun Qin, Qiang Xu, Jing Li
KSCE JOURNAL OF CIVIL ENGINEERING
(2020)
Article
Chemistry, Multidisciplinary
Jian Zhang, Yiting Liu, Xinglai Zhang, Zongyi Ma, Jing Li, Cai Zhang, Altynay Shaikenova, Beisenov Renat, Baodan Liu
Article
Materials Science, Multidisciplinary
Ke Wang, Xiaoyuan Liu, Xinyue Tang, Xin Jin, Wenjin Yang, Junchao Wang, Jing Li, Xinglai Zhang, Baodan Liu
ADVANCED MATERIALS TECHNOLOGIES
(2020)
Article
Construction & Building Technology
Chenyang Yuan, Jing Li, Jianyun Chen, Qiang Xu, Yunfei Xie
ADVANCES IN CIVIL ENGINEERING
(2020)
Article
Materials Science, Multidisciplinary
Chunyu Zhang, Yinghua Wei, Jie Yang, Wilfred Emori, Jing Li
MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION
(2020)
Article
Chemistry, Physical
Xinglai Zhang, Hanwen Wang, Jian Zhang, Jiangxu Li, Zongyi Ma, Jing Li, Bing Leng, Pingjuan Niu, Baodan Liu
Article
Metallurgy & Metallurgical Engineering
Wei Jie, Wei Yinghua, Li Jing, Zhao Hongtao, Lv Chenxi, Dong Junhua, Ke Wei, He Xiaoyan
ACTA METALLURGICA SINICA
(2020)
Article
Chemistry, Multidisciplinary
Cai Zhang, Xiaoyuan Liu, Jing Li, Xinglai Zhang, Wenjing Yang, Xin Jin, Fei Liu, Jinlei Yao, Xin Jiang, Baodan Liu
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)
