Enhanced Chemical Reactivity of Graphene Induced by Mechanical Strain

Bissett, Mark A.; Konabe, Satoru; Okada, Susumu; Tsuji, Masaharu; Ago, Hiroki

doi:10.1021/nn404746h

Cited by 167 publications

(157 citation statements)

References 53 publications

Supporting

Mentioning

149

Contrasting

Unclassified

Order By: Relevance

“…This instability is suggest to be fixed by defects, such as ripples or grain boundaries, which do not allow these waves by limiting the size [41][42][43]. Furthermore, we found tensile strain can suppress such instability near Γ, which can be easily applied to monolayer materials [44,45]. As an example, in Fig.…”

Section: Resultsmentioning

confidence: 85%

Manipulating charge density waves in1T−TaS2by charge-carrier doping: A first-principles investigation

Shao¹,

Xiao²,

Lu³

et al. 2016

Phys. Rev. B

View full text Add to dashboard Cite

The transition metal dichalcogenide (TMD) 1T -TaS2 exhibits a rich set of charge density wave (CDW) orders. Recent investigations suggested that using light or electric field can manipulate the commensurate (C) CDW ground state. Such manipulations are considered to be determined by the charge carrier doping. Here we simulate by first-principles calculations the carrier doping effect on CCDW in 1T -TaS2. We investigate the charge doping effects on the electronic structures and phonon instabilities of 1T structure and analyze the doping induced energy and distortion ratio variations in CCDW structure. We found that both in bulk and monolayer 1T -TaS2, CCDW is stable upon electron doping, while hole doping can significantly suppress the CCDW, implying different mechanisms of such reported manipulations. Light or positive perpendicular electric field induced hole doping increases the energy of CCDW, so that the system transforms to NCCDW or similar metastable state. On the other hand, even the CCDW distortion is more stable upon in-plain electric field induced electron injection, some accompanied effects can drive the system to cross over the energy barrier from CCDW to nearly commensurate (NC) CDW or similar metastable state. We also estimate that hole doping can introduce potential superconductivity with Tc of 6 ∼ 7 K. Controllable switching of different states such as CCDW/Mott insulating state, metallic state, and even the superconducting state can be realized in 1T -TaS2, which makes the novel material have very promising applications in the future electronic devices.

show abstract

Section: Resultsmentioning

confidence: 85%

Manipulating charge density waves in1T−TaS2by charge-carrier doping: A first-principles investigation

Shao¹,

Xiao²,

Lu³

et al. 2016

Phys. Rev. B

View full text Add to dashboard Cite

show abstract

“…In this regard, a catalytic condition that can lower the reaction energy barrier is desirable, which includes the use of catalysts or strain-induced sp 2 -sp 3 bond character changes. [12][13][14][15] In particular, the Pt NPs lying under graphene is useful to generate highly localized strain that can alter the bond characteristics of graphene, leading to efficient perforation at lower temperature.…”

Section: Resultsmentioning

confidence: 99%

Strain-Assisted Wafer-Scale Nanoperforation of Single-Layer Graphene by Arrayed Pt Nanoparticles

et al. 2015

View full text Add to dashboard Cite

⊥ These authors contributed equally. ABSTRACT:We demonstrate the large-area lithography-free ordered perforation of reduced graphene oxide (rGO) and graphene grown by chemical vapor deposition (CVD) with arrayed Pt nanoparticles (NPs) prepared by using self-patterning diblock copolymer micelles. The rGO layers were perforated by Pt NPs formed either on top or bottom surface. On the other hand, CVD graphene was perforated only when the Pt NPs were placed under the graphene layer.Various control experiments confirm that the perforation reaction of CVD graphene was catalysed by Pt NPs, where the mechanical strain as well as the chemical reactivity of Pt have lowered the activation energy barriers for the oxidation reaction of C=C bonds in graphene.Systematic AFM and Raman analysis revealed the detailed perforation mechanism. The pore size and spacing can be controlled and thus, our present work may open a new direction in the development of ordered nanopatterns on graphene using metal NPs.

show abstract

“…For example, one can transfer a singlelayer graphene to a flexible polydimethylsiloxane (PDMS) substrate, and strain can be applied to graphene by simply stretching the supporting substrate [38]. Strain can also arise from the lattice mismatch between epitaxial thin films and substrates [39] or bending of the 2D material on plastic substrate [40].…”

Section: Discussionmentioning

confidence: 99%

Enhanced thermoelectric performance of phosphorene by strain-induced band convergence

et al. 2014

View full text Add to dashboard Cite

The newly emerging monolayer phosphorene was recently predicted to be a promising thermoelectric material. In this work, we propose to further enhance the thermoelectric performance of phosphorene using the straininduced band convergence. The effect of the uniaxial strain on the thermoelectric properties of phosphorene was investigated by using the first-principles calculations combined with the semiclassical Boltzmann theory. When the zigzag-direction strain is applied, the Seebeck coefficient and electrical conductivity in the zigzag direction can simultaneously be greatly enhanced at the critical strain of 5%, at which the band convergence is achieved. The largest ZT value of 1.65 at 300 K is then conservatively estimated by using the bulk lattice thermal conductivity. When the armchair-direction strain of 8% is applied, the room-temperature ZT value can reach 2.12 in the armchair direction of phosphorene. Our results indicate that strain-induced band convergence could be an effective method to enhance the thermoelectric performance of phosphorene.

show abstract

Enhanced Chemical Reactivity of Graphene Induced by Mechanical Strain

Cited by 167 publications

References 53 publications

Manipulating charge density waves in1T−TaS2by charge-carrier doping: A first-principles investigation

Manipulating charge density waves in1T−TaS2by charge-carrier doping: A first-principles investigation

Strain-Assisted Wafer-Scale Nanoperforation of Single-Layer Graphene by Arrayed Pt Nanoparticles

Enhanced thermoelectric performance of phosphorene by strain-induced band convergence

Contact Info

Product

Resources

About