Exploring the novel structure, transportable capacity and thermodynamic properties of TiH
            <sub>2</sub>
            hydrogen storage material

Pan, Yong; Chen, Shuang

doi:10.1002/er.5260

Cited by 65 publications

(18 citation statements)

References 74 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In the field of solid‐state hydrogen storage materials, the design of novel materials with appropriate performances are urgently required in order to overcome the shortcomings in hydrogen economy 42 . Several researches in this area are focused on metal hydrides, metal organic frameworks and carbon materials while these materials are suffered from slow kinetics, inappropriate thermodynamics and low efficiencies 43 . Organic polymers, due to the structural flexibility, thermomechanical, and physicochemical properties, are recently developed as the host for hydrogen sorption in the electrochemical systems 44 .…”

Section: Resultsmentioning

confidence: 99%

“…42 Several researches in this area are focused on metal hydrides, metal organic frameworks and carbon materials while these materials are suffered from slow kinetics, inappropriate thermodynamics and low efficiencies. 43 Organic polymers, due to the structural flexibility, thermomechanical, and physicochemical properties, are recently developed as the host for hydrogen sorption in the electrochemical systems. 44 The physisorption of hydrogen is a reversible process with continuous adsorption and desorption profiles.…”

Section: Electrochemical Properties and Hydrogen Storage Performancementioning

confidence: 99%

See 1 more Smart Citation

Preparation and application of sulfonated polysulfone in an electrochemical hydrogen storage system

et al. 2020

View full text Add to dashboard Cite

Summary Storage of hydrogen in/on solid‐state materials is predicted from their tendency to adsorb‐desorb hydrogen. It is crucial to find a new class of materials that can reversibly store hydrogen at high rates under reasonable temperature, pressure, and cost conditions. Polymeric materials have recently come to the fore of hydrogen storage technologies because of their reversible capacity, approximately high surface area, and thermomechanical stabilities. Here, we report, for the first time, a polymer for hydrogen storage based on sulfonated polysulfone (SPSU) of above 500 mAh g−1 (~1.8 wt% H) of discharge capacity. Primarily, the SPSU have polymerized from polysulfone (PSU) in the presence of chlorosulfonic acid (ClSO3H). The spectroscopic and elemental analyses confirm the successful sulfonation of PSU. The electrochemical properties of the sample illustrate at high frequency, the resistance is small with slopes of around zero. Cyclic voltammetry affirms a quick ion transfer ability of the host polymer owing to the ion diffusion reaction within the working electrodes. The charge‐discharge efficiency of this system exhibits a stable sequence with around 93% efficiency, comparable with many benchmark commercial batteries. The results clearly emphasize that the SPSU can be individually assigned for hydrogen storage. This study will promote the technology of hydrogen sorption on organic polymers.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Electrochemical Properties and Hydrogen Storage Performancementioning

confidence: 99%

Preparation and application of sulfonated polysulfone in an electrochemical hydrogen storage system

et al. 2020

View full text Add to dashboard Cite

show abstract

“…A schematic diagram of the sample preparation process and SPS is shown in Figure 2. Using a two-stage heating process, TiH 2 [21][22][23] was first completely decomposed at 800 °C for 10 minutes and then heated to 1400, 1500, 1600, 1700 and 1800 °C for 20 minutes, each, at a heating rate of 100 °C•min 1 . Figure 3 shows the temperature and displacement changes of the sample during 1800 °C sintering, revealing that the sample had a positive displacement and indicating that the sample was gradually densified.…”

Section: Methodsmentioning

confidence: 99%

Properties of B₄C-TiB₂ ceramics prepared by spark plasma sintering*

et al. 2021

View full text Add to dashboard Cite

By doping titanium hydride (TiH2) into boron carbide (B4C), a series of B4C + x wt% TiH2 (x = 0, 5, 10, 15, and 20) composite ceramics were obtained through spark plasma sintering (SPS). The effects of the sintering temperature and the amount of TiH2 additive on the microstructure, mechanical and electrical properties of the sintered B4C-TiB2 composite ceramics were investigated. Powder mixtures of B4C with 0–20 wt% TiH2 were heated from 1400 °C to 1800 °C for 20 min under 50 MPa. The results indicated that higher sintering temperatures contributed to greater ceramic density. With increasing TiH2 content, titanium diboride (TiB2) formed between the TiH2 and B4C matrix. This effectively improved Young’s modulus and fracture toughness of the composite ceramics, significantly improving their electrical properties: the electrical conductivity reached 114.9 S⋅cm−1 at 1800 °C when x = 20. Optimum mechanical properties were obtained for the B4C ceramics sintered with 20 wt% TiH2, which had a relative density of 99.9 ± 0.1%, Vickers hardness of 31.8 GPa, and fracture toughness of 8.5 MPa⋅m1 / 2. The results indicated that the doping of fine Ti particles into the B4C matrix increased the conductivity and the fracture toughness of B4C.

show abstract

“…In this paper, the structural stability of the three Mo 5 SiB 2 is measured by thermodynamic stability and dynamical stability [48,49]. It is obvious that the thermodynamic stability is measured by cohesive energy (ΔE) and enthalpy of formation (ΔH) [50,51], which are given by [52]:…”

Section: Model and Calculated Methodsmentioning

confidence: 99%

Prediction the structure, mechanical properties and melting point ofD8_m‐Mo₅SiB₂andCmcm‐Mo₅SiB₂

Pan

2021

Int J of Quantum Chemistry

Self Cite

View full text Add to dashboard Cite

Mo 5 SiB 2 is an ideal candidate for high temperature material. Although the D8 l -Mo 5 SiB 2 has been published, the other phases and the related properties of Mo 5 SiB 2 are still unclear. Here, two possible Mo 5 SiB 2 phases (D8 m -Mo 5 SiB 2 and Cmcm-Mo 5 SiB 2 ) are predicted by using the first principles method. The structural stability, mechanical properties, melting point and electronic structure of Mo 5 SiB 2 are studied. The results show that the D8 m -Mo 5 SiB 2 and Cmcm-Mo 5 SiB 2 are thermodynamically and dynamically stables. The calculated bulk elastic modulus, shear modulus and Young's modulus of the Cmcm-Mo 5 SiB 2 are close to D8 l -Mo 5 SiB 2 . In addition, the predicted Cmcm-Mo 5 SiB 2 has high melting point (2518.5 C) compared to the D8 l -Mo 5 SiB 2 and D8 m -Mo 5 SiB 2 . In particular, the predicted D8 m -Mo 5 SiB 2 exhibits better plasticity than the D8 l -Mo 5 SiB 2 . The calculated density of states and Mulliken overlap population shows that the D8 m -Mo 5 SiB 2 and Cmcm-Mo 5 SiB 2 all exhibit metallic behavior. The metallic behavior mainly depends on the electronic interaction between Mo atom and B atom near Fermi level. Furthermore, the bond length of Mo-B bond in the D8 m -Mo 5 SiB 2 is longer than the other two structures, which may be the reason why the ductility of the former is better than the latter. K E Y W O R D S first-principles method, mechanical properties, melting point, Mo 5 SiB 2 , structural prediction 1 | INTRODUCTION The search for excellent high-temperature materials is also a big challenge for the development of modern industrial [1-8]. Mo 5 SiB 2 ternary silicide is regarded as an ideal candidate material for aero-engine turbine blades and industrial gas turbine hot-end components because of its high melting point, good mechanical properties and good oxidation resistance [9-15]. In 1957, Nowotny et al. have been studied the phase diagram of Mo-Si-B ternary silicide by using the phase diagram method. The Mo-Si-B ternary phase is discovered for the first time [16]. In 1958, Aronsson discovered by powder photography that this Mo-Si-B ternary phase has a body-centered tetragonal structure (D8 l ) similar to Cr 5 B 3 , and gave its lattice parameters a = b = 6.02 Å, c = 11.07 Å [17]. As we all know, the good oxidation resistance, excellent mechanical properties and good ductility are necessary conditions for high temperature materials [18][19][20][21][22][23][24]. In terms of mechanical properties, Mo 5 SiB 2 ternary silicide has high single crystal elastic constants at room temperature (RT): C 11 = 480 GPa, C 33 = 415 GPa, C 12 = 166 GPa, C 13 = 197GPa, C 44 = 174GPa and C 66 = 143 GPa [25]. Furthermore, the bulk elastic modulus, shear modulus and Young's modulus of Mo 5 SiB 2 are 271GPa, 152GPa and 385GPa, which indicate that Mo 5 SiB 2 is an extremely high temperature material [26]. In addition, it is found that there are numerous dislocations in the Mo 5 SiB 2 crystal, which will benefit its ductility [27,28]. In terms of oxidation resistance, Akinc et al. have been ...

show abstract

Exploring the novel structure, transportable capacity and thermodynamic properties of TiH ₂ hydrogen storage material

Cited by 65 publications

References 74 publications

Preparation and application of sulfonated polysulfone in an electrochemical hydrogen storage system

Preparation and application of sulfonated polysulfone in an electrochemical hydrogen storage system

Properties of B₄C-TiB₂ ceramics prepared by spark plasma sintering*

Prediction the structure, mechanical properties and melting point ofD8_m‐Mo₅SiB₂andCmcm‐Mo₅SiB₂

Contact Info

Product

Resources

About

Exploring the novel structure, transportable capacity and thermodynamic properties of TiH 2 hydrogen storage material

Cited by 65 publications

References 74 publications

Preparation and application of sulfonated polysulfone in an electrochemical hydrogen storage system

Preparation and application of sulfonated polysulfone in an electrochemical hydrogen storage system

Properties of B4C-TiB2 ceramics prepared by spark plasma sintering*

Prediction the structure, mechanical properties and melting point ofD8m‐Mo5SiB2andCmcm‐Mo5SiB2

Contact Info

Product

Resources

About

Exploring the novel structure, transportable capacity and thermodynamic properties of TiH ₂ hydrogen storage material

Properties of B₄C-TiB₂ ceramics prepared by spark plasma sintering*

Prediction the structure, mechanical properties and melting point ofD8_m‐Mo₅SiB₂andCmcm‐Mo₅SiB₂