Effects of pressure, temperature, and geometric structure of pillared graphene on hydrogen storage capacity

Wu, Cheng-Da; Fang, Te-Hua; Lo, Jian-Yuan

doi:10.1016/j.ijhydene.2012.07.040

Cited by 75 publications

(25 citation statements)

References 26 publications

(22 reference statements)

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“…Atomic/molecular simulation avoids experimental noise and can be used to analyze atomic/molecular trajectories and thermodynamic properties. Many nanosystems have been analyzed using MD, such as nanoimprinting, 9,10 metallic NWs under torsion, 11,12 hydrogen storage capacity of graphene, 13,14 and dip-pen nanolithography. 15, 16 Pereira and da Silva 17 modeled the cold welding of Au-Au, Ag-Ag, and Au-Ag NWs with diameters of 4.3 nm at a temperature of 300 K. They found that defective NWs can reconstruct their face-centered cubic (fcc) structure during the welding process.…”

Section: Introductionmentioning

confidence: 99%

Atomistic simulations of nanowelding of single-crystal and amorphous gold nanowires

Fang

2015

Journal of Applied Physics

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The mechanism and quality of the welding of single-crystal (SC) and amorphous gold nanowires (NWs) with head-to-head contact are studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The results are discussed in terms of atomic trajectories, slip vectors, stress, and radial distribution function. Simulation results show that the alignment for the amorphous NWs during welding is easier than that for the SC NWs due to the former's relatively stable geometry. A few dislocations nucleate and propagate on the (111) close-packed plane (slip plane) inside the SC NWs during the welding and stretching processes. During welding, an incomplete jointing area first forms through the interactions of the van der Waals attractive force, and the jointing area increases with increasing extent of contact between the two NWs. A crystallization transition region forms in the jointing area for the welding of SC-amorphous or amorphous-SC NWs. With increasing interference, an amorphous gold NW shortens more than does a SC gold NW due to the former's relatively poor strength. The pressure required for welding decreases with increasing temperature. V C 2015 AIP Publishing LLC.

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Section: Introductionmentioning

confidence: 99%

Atomistic simulations of nanowelding of single-crystal and amorphous gold nanowires

Fang

2015

Journal of Applied Physics

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“…Therefore, Cb has various properties involving a high ratio of surface area to volume, good conductivity, and high catalytic activity. These advantages make Cb a potential candidate for the CE in DSC and the active sites for Cb catalysis are always located at the edge of crystals . The Lee group prepared a Cb CE for DSC using poly(vinylidene fluoride) (PVDF) as a binder to tune the viscosity of the Cb paste for the doctor blade process .…”

Section: Carbon Counter Electrode In the Dye‐sensitized Solar Cellmentioning

confidence: 99%

“…These advantages make Cb a potential candidate for the CE in DSC and the active sites for Cb catalysis are always located at the edge of crystals. [138,139] The Lee group prepared a Cb CE for DSC using poly(vinylidene fluoride) (PVDF) as a binder to tune the viscosity of the Cb paste for the doctor blade process. [140] The PVDF binder was removed by a thermal treatment, and a mesoporous structure was constructed for the Cb film.…”

Section: Carbon Black and Graphitementioning

confidence: 99%

Carbon Counter Electrodes in Dye‐Sensitized and Perovskite Solar Cells

Sun

Zhou

et al. 2019

Adv Funct Materials

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Developing highly effective and stable counter electrode (CE) materials to replace rare and expensive noble metals for dye‐sensitized and perovskite solar cells (DSC and PSC) is a research hotspot. Carbon materials are identified as the most qualified noble metal‐free CEs for the commercialization of the two photovoltaic devices due to their merits of low cost, excellent activity, and superior stability. Herein, carbonaceous CE materials are reviewed extensively with respect to the two devices. For DSC, a classified discussion according to the morphology is presented because electrode properties are closely related to the specific porosity or nanostructure of carbon materials. The pivotal factors influencing the catalytic behavior of carbon CEs are also discussed. For PSC, an overview of the new carbon CE materials is addressed comprehensively. Moreover, the modification techniques to improve the interfacial contact between the perovskite and carbon layers, aiming to enhance the photovoltaic performance, are also demonstrated. Finally, the development directions, main challenges, and coping approaches with respect to the carbon CE in DSC and PSC are stated.

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“…Three factors synergistically acted to improve the H 2 storage capacity of MGFs: (i) more sp 2 C species which serve as the H 2 uptake site are exposed since the GO layers are significantly reduced; (ii) high-valent Ni(III) open metal centers as strong Lewis acidic sites appeared at the pores; and (iii) the microporous nature of MGFs might be especially suited for H 2 uptake. Wu and his group [20] investigated the adsorption of molecular hydrogen on 3D pillared graphene structure (the combination of CNTs and graphene sheets) under various environments using molecular dynamics simulations ( Figure 10.3). The efficiency of hydrogen storage in this structure is determined by (i) both binding energy and binding force from the pillared graphene interacting with hydrogen, and (ii) hydrogen flow from the edges of graphene sheets to enter the internal structure (empty space).…”

Section: Storage Of Molecular Hydrogenmentioning

confidence: 99%

Graphene‐Based Devices for Hydrogen Storage

Wang

2015

Graphene‐based Energy Devices

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In the twenty-first century, renewable, environment-friendly, and sustainable alternative energy sources are urgently demanded because of the aggravating energy problems related to fossil fuel consumption and global warming [1, 2]. Among these candidate energy sources, hydrogen has been considered as one of the ultimate clean fuels because of its environmental compatibility, easy production, and nonpolluting properties [3]. However, the storage of hydrogen has been identified as the most difficult challenge. For practical applications, hydrogen storage demands high gravimetric and volumetric densities, fast reaction kinetics, a low H 2 absorption temperature, good reversibility, and low cost. Therefore, much research effort has been focused on how to develop hydrogen storage systems that can satisfy the conditions mentioned above. Current hydrogen storage technologies, such as cryogenic liquid storage, high-pressure gas cells, low-temperature adsorbates, metal hydrides, and chemical storage, have not been able to meet all the industry requirements [4]. To achieve economic feasibility, hydrogen storage materials with high gravimetric and volumetric densities -specified by the Department of Energy targets of 6.0 wt% mass ratio and 45 kg m −3 volumetric capacity by 2010 -need to be developed urgently [5].Undoubtedly, the developments of hydrogen storage techniques strongly depend on achievements of materials science [2]. In order to accomplish such a target, the key aspects are designing novel materials and developing synthesis processes that allow precise control over the structural and chemical characteristics of the material, as well as seeking greener and cost effective material synthesis processes for the widespread utilization of such devices [6,7]. In the past decade, there has been a strong focus on the use of carbon nanotubes (CNTs) for the fabrication of hydrogen energy storage devices. Besides being lightweight, CNTs present many advantages, including a large surface area (up to 1315 m 2 g −1 ) and mass producability. However, many disadvantages have limited its widespread applications, such as the presence of toxic residual metallic impurities that are very difficult to remove and the high manufacturing cost [8].Graphene-based Energy Devices, First Edition. Edited by A. Rashid bin Mohd Yusoff.

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Effects of pressure, temperature, and geometric structure of pillared graphene on hydrogen storage capacity

Cited by 75 publications

References 26 publications

Atomistic simulations of nanowelding of single-crystal and amorphous gold nanowires

Atomistic simulations of nanowelding of single-crystal and amorphous gold nanowires

Carbon Counter Electrodes in Dye‐Sensitized and Perovskite Solar Cells

Graphene‐Based Devices for Hydrogen Storage

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