scholarly journals Engineering oxygen vacancies in Na2Ti3O7 for boosting its catalytic performance in MgH2 hydrogen storage

2021 ◽  
Author(s):  
Huanhuan Zhang ◽  
Qianqian Kong ◽  
Song Hu ◽  
Dafeng Zhang ◽  
Haipeng Chen ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Rational Design ◽  
Oxygen Vacancies ◽  
High Efficiency ◽  
Retention Rate ◽  
Storage System ◽  
Critical Role ◽  
Catalytic Performance ◽  
Sorption Kinetics ◽  
Desorption Kinetics

Abstract Rational design of high-efficiency catalysts plays a critical role in improving the hydrogen storage performances of the MgH2. Herein, flower-like Na2Ti3O7 catalyst with rich oxygen vacancies (Na2Ti3O7-Ov) was synthesized from Ti3C2-MXene and demonstrated to remarkably enhance the hydrogen storage of MgH2. Specifically, with an addition of 5 wt.% Na2Ti3O7-Ov, the initial dehydrogenation temperature of the MgH2 + 5Na2Ti3O7-Ov composite reduced substantially from 287 °C (for MgH2) to 183 °C. Moreover, the MgH2 + 5Na2Ti3O7-Ov composite exhibited fast hydrogen ab/desorption kinetics and superb reversible hydrogen storage performance with a retention rate of 90.1 % after 10 cycles attributed to the higher structural stability of Na2Ti3O7-Ov. Both experimental and theoretical results confirm that the oxygen vacancies in Na2Ti3O7-Ov reduce the reaction activation energy during MgH2 dehydrogenation, hence accounting for the excellent hydrogen sorption kinetics. This work would lead to new design and development of advanced defect-based nano-catalysts for the MgH2 hydrogen storage system.

Nanocrystalline Mg-based hydrides for hydrogen storage

2001 ◽  
Vol 676 ◽  
Author(s):  
W. Oelerich ◽  
T. Klassen ◽  
R. Bormann
Keyword(s):  
Hydrogen Storage ◽  
Mobile Applications ◽  
Research Effort ◽  
Metal Hydrides ◽  
Clean Energy ◽  
High Energy ◽  
Sorption Kinetics ◽  
Desorption Kinetics ◽  
Gaseous State ◽  
Sorption Behaviour

ABSTRACTHydrogen is the ideal means of energy storage for transportation and conversion of energy in a comprehensive clean-energy concept. However, appropriate storage facilities, both for stationary and for mobile applications, are complicated, because of the very low boiling point of hydrogen (20.4 K at 1 atm) and its low density in the gaseous state (90 g/m3). Furthermore, the storage of hydrogen in liquid or gaseous form imposes safety problems, in particular for mobile applications, e.g. the future zero-emission vehicle. Metal hydrides are a safe alternative for H-storage and, in addition, have a high volumetric energy density that is about 60% higher than that of liquid hydrogen. Mg hydride has a high storage capacity by weight and is therefore favoured for automotive applications. However, so far light metal hydrides have not been considered competitive because of their rather sluggish sorption kinetics. Filling a tank could take several hours. Moreover, the hydrogen desorption temperature of about 300 °C is rather high for most applications. A breakthrough in hydrogen storage technology was achieved by preparing nanocrystalline hydrides using high-energy ball milling. These new materials show very fast aband desorption kinetics within few minutes, thus qualifying lightweight Mg-based hydrides for storage application. In this paper recent detailed results on the sorption behaviour of nanocrystalline Mg and Mg-based alloys are presented. In a following research effort the sorption kinetics of nanocrystalline Mg has been further enhanced by catalyst additions. Furthermore, different transition metals have been added to Mg to achieve a thermodynamic destabilisation of the hydride, thus lowering the desorption temperatures to about 230 °C. The newly developed materials are currently being tested in prototype storage tanks.

Practical Sorption Kinetics of TiCl3 Catalyzed NaAlH4

2005 ◽  
Vol 884 ◽  
Author(s):  
Xia Tang ◽  
Daniel A Mosher ◽  
Donald L Anton
Keyword(s):  
Hydrogen Storage ◽  
Storage System ◽  
Sorption Kinetics ◽  
Promising Candidate ◽  
Intermediate Temperature Range ◽  
Hydrogen Storage System ◽  
High Storage Capacity ◽  
Kinetics Of ◽  
High Storage ◽  
Absorption Of Hydrogen

AbstractSodium alanate has been studied as a promising candidate material for reversible hydrogen storage due to its intermediate temperature range and relatively high storage capacity. Its rates of desorption and absorption of hydrogen have been shown to be enhanced by the addition of Ti in various compounds. To date, the sorption kinetics, especially absorption kinetics, is not well understood. In this study, a practical sorption kinetics model for TiCl3 catalyzed NaAlH4 has been developed to assist in the engineering design and evaluation of a prototype hydrogen storage system.

Thermal and Volumetric Studies of Complex Chemical Hydrides: Li-modified/Ti- doped Mg2FeH6, Sonicated LiNH2/LiH and Zn- doped NaBH4

2005 ◽  
Vol 885 ◽  
Author(s):  
Sesha Srinivasan ◽  
Lisa McElwee-White ◽  
Elias Stefanakos ◽  
Yogi Goswami ◽  
Seth Dumbris
Keyword(s):  
Hydrogen Storage ◽  
Storage System ◽  
Sorption Kinetics ◽  
Decomposition Temperature ◽  
Metal Species ◽  
Scanning Calorimetry ◽  
Flow Measurements ◽  
Complex Chemical ◽  
New Class ◽  
Hydrogen Storage System

ABSTRACTLight weight hydrogen storage systems are indeed essential for the on-board automotive vehicular applications. Complex chemical hydrides bearing light elements such as Li, Na, Mg etc. and their catalytic doping with transition metal species are presently being investigated. The Li- modified Mg2FeH6structure have been thermally characterized using DSC and TGA techniques. It is interesting to notice that the reduction in the decomposition temperature of about 100° C has been unambiguously observed for the Li modified Mg2FeH6. Besides, there is an enhancement in sorption kinetics for the Ti- doped Mg2FeH6. The role of Ti- species on the dehydrogenation and rehdyrogenation properties of NaAlH4have been explored by heat flow measurements using high pressure differential scanning calorimetry. We have also developed the Li-amide/LiH system by sonicated process and studied their PCT characteristics. A new class of hydrogen storage system Zn(BH4)2with theoretical hydrogen capacity of 8.4 wt.% have been synthesized and we have determined their gravimetric and volumetric characteristics.

Optimizing electron density of nickel sulfide electrocatalysts through sulfur vacancy engineering for alkaline hydrogen evolution

2020 ◽  
Vol 8 (35) ◽  
pp. 18207-18214
Author(s):  
Dongbo Jia ◽  
Lili Han ◽  
Ying Li ◽  
Wenjun He ◽  
Caichi Liu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Electron Density ◽  
Rational Design ◽  
Nickel Sulfide ◽  
Catalytic Performance ◽  
Sulfide Catalysts ◽  
Sulfur Vacancy

A novel, rational design for porous S-vacancy nickel sulfide catalysts with remarkable catalytic performance for alkaline HER.

scholarly journals Computational-Driven Epitope Verification and Affinity Maturation of TLR4-Targeting Antibodies

2021 ◽  
Vol 22 (11) ◽  
pp. 5989
Author(s):  
Bilal Ahmad ◽  
Maria Batool ◽  
Moon Suk Kim ◽  
Sangdun Choi
Keyword(s):  
Rational Design ◽  
Structural Integrity ◽  
Critical Role ◽  
Autoimmune Encephalitis ◽  
Affinity Maturation ◽  
Antibody Binding ◽  
Computational Techniques ◽  
Multiple Strategies ◽  
Binding Epitope

Toll-like receptor (TLR) signaling plays a critical role in the induction and progression of autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematous, experimental autoimmune encephalitis, type 1 diabetes mellitus and neurodegenerative diseases. Deciphering antigen recognition by antibodies provides insights and defines the mechanism of action into the progression of immune responses. Multiple strategies, including phage display and hybridoma technologies, have been used to enhance the affinity of antibodies for their respective epitopes. Here, we investigate the TLR4 antibody-binding epitope by computational-driven approach. We demonstrate that three important residues, i.e., Y328, N329, and K349 of TLR4 antibody binding epitope identified upon in silico mutagenesis, affect not only the interaction and binding affinity of antibody but also influence the structural integrity of TLR4. Furthermore, we predict a novel epitope at the TLR4-MD2 interface which can be targeted and explored for therapeutic antibodies and small molecules. This technique provides an in-depth insight into antibody–antigen interactions at the resolution and will be beneficial for the development of new monoclonal antibodies. Computational techniques, if coupled with experimental methods, will shorten the duration of rational design and development of antibody therapeutics.

scholarly journals The Catalytic Oxidation of Formaldehyde by FeOx-MnO2-CeO2 Catalyst: Effect of Iron Modification

Catalysts ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 555
Author(s):  
Yaxin Dong ◽  
Chenguang Su ◽  
Kai Liu ◽  
Haomeng Wang ◽  
Zheng Zheng ◽  
...  
Keyword(s):  
Low Temperatures ◽  
Oxygen Vacancies ◽  
Catalytic Performance ◽  
Active Oxygen ◽  
Molar Ratio ◽  
N2 Adsorption ◽  
Structure Activity ◽  
Iron Modification ◽  
Surface Active ◽  
Catalyst Effect

A series of FeOx-MnO2-CeO2 catalysts were synthesized by the surfactant-templated coprecipitation method and applied for HCHO removal. The influence of Fe/Mn/Ce molar ratio on the catalytic performance was investigated, and the FeOx-MnO2-CeO2 catalyst exhibited excellent catalytic activity, with complete HCHO conversion at low temperatures (40 °C) when the molar ratio of Fe/Mn/Ce was 2/5/5. The catalysts were characterized by N2 adsorption and desorption, XRD, H2-TPR, O2-TPD and XPS techniques to illustrate their structure–activity relationships. The result revealed that the introduction of FeOx into MnO2-CeO2 formed a strong interaction between FeOx-MnO2-CeO2, which facilitated the improved dispersion of MnO2-CeO2, subsequently increasing the surface area and aiding pore development. This promotion effect of Fe enhanced the reducibility and produced abundant surface-active oxygen. In addition, a great number of Oα is beneficial to the intermediate decomposition, whereas the existence of Ce3+ favors the formation of oxygen vacancies on the surface of the catalyst, all of which contributed to HCHO oxidation at low temperatures.

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