Molecular magnetic switch for a metallofullerene

Wu, Bo; Wang, Taishan; Feng, Yongqiang; Zhang, Zhuxia; Li, Jiang; Wang, Chunru

doi:10.1038/ncomms7468

Cited by 59 publications

(58 citation statements)

References 37 publications

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“…Carbon nanomaterials are becoming more attractive, especially for use in pure carbon systems that are spin-polarized. 19 In low-dimensional carbon materials, spin polarization usually arises from localized electronic states at the edge of structures. 18 However, few studies have looked at the design of molecular devices based on asymmetric spin distribution, even though this asymmetry is critical to targeted transport and magnetic switches.…”

Section: Introductionmentioning

confidence: 99%

“…[11][12][13][14] The spin polarization effects of carbon-based nanomaterials have attracted much interest for their spin valve and spin injections in molecular devices [15][16][17] , and even in biomedical drug delivery. 11,[19][20][21][22][23][24] For example, for the ground state of zigzag edge nanotubes, the spin polarization at an edge is ferromagnetic and antiferromagnetic coupled at the two zigzag edges. 19 In low-dimensional carbon materials, spin polarization usually arises from localized electronic states at the edge of structures.…”

Section: Introductionmentioning

confidence: 99%

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Charging-induced asymmetric spin distribution in an asymmetric (9,0) carbon nanotube

Roeterdink

Jiang

Dai

et al. 2015

Phys. Chem. Chem. Phys.

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Asymmetry in the electronic structure of low-dimensional carbon nanomaterials is important for designing molecular devices for functions such as directional transport and magnetic switching. In this paper, we use density functional theory to achieve an asymmetric spin distribution in a typical (9,0) carbon nanotube (CNT) by capping the CNT with a fullerene hemisphere at one end and saturating the dangling bonds with hydrogen atoms at the other end. The asymmetric structure facilitates obvious asymmetry in the spin distribution along the tube axis direction, with the maximum difference between the ends reaching 1.6 e Å(-1). More interestingly, the heterogeneity of the spin distribution can be controlled by charging the system. Increasing or decreasing the charge by 2e can reduce the maximum difference in the linear spin density along the tube axis to approximately 0.68 e Å(-1) without changing the proportion of the total electron distribution. Further analyses of the electron density difference and the density of states reveal the loss and gain of charge and the participation of atomic orbitals at both ends. Our study characterizes the asymmetric spin distribution in a typical asymmetric carbon system and its correlation with charge at the atomic level. The results provide a strategy for controlling the spin distribution for functional molecular devices through a simple charge adjustment.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Charging-induced asymmetric spin distribution in an asymmetric (9,0) carbon nanotube

Roeterdink

Jiang

Dai

et al. 2015

Phys. Chem. Chem. Phys.

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“…In fact, there is growing evidence of a charge order existing in the pseudogap state of several cuprate families (see Refs. [129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149]) which also coexists and competes with superconductivity at lower temperatures. Recently, it seems that there is a consensus on the presence of periodic modulations in the electronic density, a phenomenon called charge density wave (CDW).…”

Section: Charge Density Wave Instabilitymentioning

confidence: 99%

The high temperature superconductivity in cuprates: physics of the pseudogap region

Cea

2016

Eur. Phys. J. B

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Abstract. We discuss the physics of the high temperature superconductivity in hole doped copper oxide ceramics in the pseudogap region. Starting from an effective reduced Hamiltonian relevant to the dynamics of holes injected into the copper oxide layers proposed in a previous paper, we determine the superconductive condensate wavefunction. We show that the low-lying elementary condensate excitations are analogous to the rotons in superfluid 4 He. We argue that the rotons-like excitations account for the specific heat anomaly at the critical temperature. We discuss and compare with experimental observations the London penetration length, the Abrikosov vortices, the upper and lower critical magnetic fields, and the critical current density. We give arguments to explain the origin of the Fermi arcs and Fermi pockets. We investigate the nodal gap in the cuprate superconductors and discuss both the doping and temperature dependence of the nodal gap. We suggest that the nodal gap is responsible for the doping dependence of the so-called nodal Fermi velocity detected in angle resolved photoemission spectroscopy studies. We discuss the thermodynamics of the nodal quasielectron liquid and their role in the low temperature specific heat. We propose that the ubiquitous presence of charge density wave in hole doped cuprate superconductors in the pseudogap region originates from instabilities of the nodal quasielectrons driven by the interaction with the planar CuO2 lattice. We investigate the doping dependence of the charge density wave gap and the competition between charge order and superconductivity. We discuss the effects of external magnetic fields on the charge density wave gap and elucidate the interplay between charge density wave and Abrikosov vortices. Finally, we examine the physics underlying quantum oscillations in the pseudogap region. PACS

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“…These crystalline structures consist of sp 2 carbon atoms forming hexa-, hepta-and octagons with a negative Gaussian curvature, similar to those found in triply periodic minimal surfaces. Although these structures have not been synthesized yet, recent experimental work with graphene foams revealed similar features to Schwarzites [2], opening a possibility of their syntheis in a near future. From the theoretical point of view, these structures have been subject of many studies due to their interesting mechanical [3] and electronic [4] properties.…”

Section: Introductionmentioning

confidence: 97%

Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study

Borges

Galvão

2018

MRS Advances

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The 3D porous carbon-based structures called Schwarzites have been recently a subject of renewed interest due to the possibility of being synthesized in the near future. These structures exhibit negatively curvature topologies with tuneable porous sizes and shapes, which make them natural candidates for applications such as CO 2 capture, gas storage and separation. Nevertheless, the adsorption properties of these materials have not been fully investigated. Following this motivation, we have carried out Grand-Canonical Monte Carlo simulations to study the adsorption of small molecules such as CO 2 , CO, CH 4 , N 2 and H 2 , in a series of Schwarzites structures. Here, we present our preliminary results on natural gas adsorptive capacity in association with analyses of the guest-host interaction strengths. Our results show that Schwarzites P7par, P8bal and IWPg are the most promising structures with very high CO 2 and CH 4 adsorption capacity and low saturation pressure (<1bar) at ambient temperature. The P688 is interesting for H 2 storage due to its exceptional high H 2 adsorption enthalpy value of -19kJ/mol.

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Molecular magnetic switch for a metallofullerene

Cited by 59 publications

References 37 publications

Charging-induced asymmetric spin distribution in an asymmetric (9,0) carbon nanotube

Charging-induced asymmetric spin distribution in an asymmetric (9,0) carbon nanotube

The high temperature superconductivity in cuprates: physics of the pseudogap region

Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study

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