Nanostructured carbon for energy storage and conversion

Candelaria, Stephanie L.; Shao, Yuyan; Zhou, Wei; Li, Xin; Xiao, Jie; Zhang, Ji Guang; Wang, Yong; Li, Jun; Li, Jinghong; Cao, Guozhong

doi:10.1016/j.nanoen.2011.11.006

Cited by 923 publications

(485 citation statements)

References 328 publications

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“…This function has been used previously to define H 2 adsorption and confinement in carbon nanotubes by several authors. 16,19,33 Standard parameters are used in the Morse function V H-H : D e = 0.1746 hartree, a = 1.0271 bohr 1 , and R e = 1.4 bohrs.…”

Section: A the H 2 @Swcnt Systemmentioning

confidence: 99%

“…Note that the primitive's grid type is a FFT grid, except for the angular coordinate θ, for which a Cotangent DVR (cot-DVR) 48 was chosen. This representation was constructed specifically to avoid the singularity appearing due to the term 1 sin θ in the Hamiltonian, Eq. Through the analysis of the adiabatic surfaces, one can detect regions where avoided crossings appear, and therefore the coupling between states could be stronger.…”

Section: A Diabatic Hamiltonian Matrices and Adiabatic Cepessmentioning

confidence: 99%

“…1,2 Among the different phenomena appearing in the nanoscale, the structural and dynamical changes experienced by molecules adsorbed in nanometric cavities, known as quantum confinement effects, are of particular interest since they allow to store light gases, achieve chemical and isotopical separation of gaseous mixtures, 3,4 and even tailor the reactivity of chemical species using specific materials. 5 The understanding of these effects is of key importance when trying to design such devices.…”

Section: Introductionmentioning

confidence: 99%

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Quantum dynamics of H2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling

Mondelo-Martell

Huarte-Larrañaga

Manthe

2017

The Journal of Chemical Physics

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Quantum confinement effects are known to affect the behavior of molecules adsorbed in nanostructured materials. In order to study these effects on the transport of a single molecule through a nanotube, we present a quantum dynamics study on the diffusion of H 2 in a narrow (8,0) carbon nanotube in the low pressure limit. Transmission coefficients for the elementary step of the transport process are calculated using the flux correlation function approach and diffusion rates are obtained using the single hopping model. The different time scales associated with the motion in the confined coordinates and the motion along the nanotube's axis are utilized to develop an efficient and numerically exact approach, in which a diabatic basis describing the fast motion in the confined coordinate is employed. Furthermore, an adiabatic approximation separating the dynamics of confined and unbound coordinates is studied. The results obtained within the adiabatic approximation agree almost perfectly with the numerically exact ones. The approaches allow us to accurately study the system's dynamics on the picosecond time scale and resolve resonance structures present in the transmission coefficients. Resonance enhanced tunneling is found to be the dominant transport mechanism at low energies. Comparison with results obtained using transition state theory shows that tunneling significantly increases the diffusion rate at T < 120 K. Published by AIP Publishing. [http://dx

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Section: A the H 2 @Swcnt Systemmentioning

confidence: 99%

Section: A Diabatic Hamiltonian Matrices and Adiabatic Cepessmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Quantum dynamics of H2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling

Mondelo-Martell

Huarte-Larrañaga

Manthe

2017

The Journal of Chemical Physics

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“…In previous studies, Cao's group [36][37][38][39] have demonstrated that graphitic carbon materials, particularly sol-gel derived carbon aerogels and cryogels, have wide applications as electrode materials in supercapacitors, lithium ion batteries, lithium sulfur batteries, lithium-air batteries and a variety of other applications. Among the more applicable and interesting studies (that pertain to VRFB) is the use of nitrogen modification on highly porous resorcinol-furaldehyde derived carbon for electrochemical supercapacitors by Candelaria et al [40].…”

Section: Introductionmentioning

confidence: 99%

Properties of mesoporous carbon modified carbon felt for anode of all-vanadium redox flow battery

Schmidt

Cao

2016

Sci. China Mater.

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A novel anode material for all-vanadium redox flow battery was synthesized by dispersion coating of sol-gel processed (resorcinol-furaldehyde) mesoporous carbon (MPC) onto the surface of polyacrylonitrile carbon felt (CF). The coated samples were then annealed at 900°C and 1100°C and the subsequent morphology, surface chemistry, and electrochemical properties of the MPC coated CF were characterized and compared with an uncoated CF. Addition of the MPC coating is shown to dramatically increase surface area while also increasing the number of active surface oxygen groups particularly for samples annealed at 1100°C. MPC coating shows a mixed effect on electrochemical properties. Characterization with cyclic voltammetry reveals the introduction of MPC coating provides roughly 30% increase in peak current density for the oxidation and reduction reactions of the V(IV)/V(V ) redox couple, which is attributed to the significantly increased number of active reaction sites. However, MPC coating seems to be accompanied by a reduction in conductivity as demonstrated by increased redox peak separation and charge transfer resistance. This negative effect on conductivity can be mitigated by heat treatment (at or above 1100°C) which improves surface graphitization reducing redox peak separation and charge transfer resistance such that it is comparable with uncoated samples.

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“…A supercapacitor operates by adsorbing/desorbing the charged ions from an electrolyte onto the electrodes (Candelaria et al, 2012). The distance between the charges of the opposite sign across the interface of the electrode/electrolyte can be in the range of angstroms (Qu, 2002).…”

Section: Introductionmentioning

confidence: 99%

Desiccated Coconut Residue Based Activated Carbon as an Electrode Material for Electric Double Layer Capacitor

Yahya¹,

Ngah²,

Hashim³

et al. 2015

APR

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Activated carbon derived from desiccated coconut residue was treated with sodium hydroxide (NaOH) and analyzed for its supercapacitor performance. The sample was then characterized by N 2 adsorption at -196°C, Energy dispersive x-ray (EDX) analysis and X-ray diffraction (XRD) in order to investigate its surface area, porosity and microcrystalline properties. Specific surface area (SSA) was found to be 1394.79 m 2 /g with high microporosity of 76.92 %. Electrochemical double-layer capacitance was studied by cyclic voltammetry with potential window of 1V. The presence of high microporosity properties affects the supercapacitor performance due to lack of accessibility of the electrolyte into the activated carbon pores. The calculated specific capacitance was found to be 42 F/g.

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Nanostructured carbon for energy storage and conversion

Cited by 923 publications

References 328 publications

Quantum dynamics of H2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling

Quantum dynamics of H2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling

Properties of mesoporous carbon modified carbon felt for anode of all-vanadium redox flow battery

Desiccated Coconut Residue Based Activated Carbon as an Electrode Material for Electric Double Layer Capacitor

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