Borocarbonitrides, BxCyNz

Kumar, Nitesh; Moses, Kota; Pramoda, K.; Shirodkar, SN; Mishra, Abhishek Kumar; Waghmare, U. V.; Sundaresan, A.; Rao, C. N. R.

doi:10.1039/c3ta01345f

Cited by 144 publications

(140 citation statements)

References 77 publications

(99 reference statements)

Supporting

Mentioning

137

Contrasting

Order By: Relevance

“…Pop et al [43] have mentioned that any surplus residue from sample fabrication or any form of disorder will reduce the thermal conductivity further. There have been many experimental [44][45][46][47][48][49] and theoretical [50][51][52] reports to show the formation of a band gap by doping graphene with boron nitride. Similarly there are reports to show the formation of band gaps in bilayer graphene [53][54][55] when under the influence of an electric field.…”

Section: A Electrical Conductivity and Seebeck Coefficient Of Mlgmentioning

confidence: 99%

First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene

D’Souza

Mukherjee

2017

Phys. Rev. B

View full text Add to dashboard Cite

We report the transport properties of monolayer and bilayer graphene from first principles calculations and Boltzmann transport theory (BTE). Our resistivity studies on monolayer graphene show Bloch-Grüneisen behavior in a certain range of chemical potentials. By substituting boron nitride in place of a carbon dimer of graphene, we predict a twofold increase in the Seebeck coefficient. A similar increase in the Seebeck coefficient for bilayer graphene under the influence of a small electric field ∼ 0.3 eV has been observed in our calculations. Graphene with impurities shows a systematic decrease of electrical conductivity and mobility. We have also calculated the lattice thermal conductivities of monolayer graphene and bilayer graphene using phonon BTE which show excellent agreement with experimental data available in the temperature range 300-700 K.

show abstract

Section: A Electrical Conductivity and Seebeck Coefficient Of Mlgmentioning

confidence: 99%

First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene

D’Souza

Mukherjee

2017

Phys. Rev. B

View full text Add to dashboard Cite

show abstract

“…Indeed, experimental routes to produce hybrid composites of h-BN and graphene 13,14 have emerged with high levels of control being reported on the nanometre scale, which is another reason to gain better atomic level understanding. Various theoretical studies on band gap engineering using h-BN and graphene mixtures, [15][16][17][18][19][20][21][22][23] have revealed the tuneability of these materials through the mixture of atoms. Other studies have focused on exploiting this tuneability for catalysis of oxygen reduction reactions, [24][25][26][27][28][29][30][31][32][33] water transport, 34 and H 2 adsorption.…”

Section: Introductionmentioning

confidence: 99%

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

Al-Hamdani

Alfè

Lilienfeld

et al. 2016

The Journal of Chemical Physics

View full text Add to dashboard Cite

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparing the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed. Published by AIP Publishing. [http://dx

show abstract

“…In fact, they generally contain BN and graphene domains and also random B−C−N networks as revealed by spectroscopic and theoretical studies [86]. The carbon-content of the material can be varied in order to bring about changes in properties [86]. BCN can be generated by depositing BN and graphene sheets alternately or in some other proportion by employing CVD with appropriate precursors.…”

Section: Bcn Bmentioning

confidence: 99%

“…NH 3 ·BH 3 has been used as the precursor of BN and CH 4 (+H 2 ), as a precursor for graphene [87,88] to obtain excellent 2-layered structures of BCN. Another way to make bulk BCN compositions is by the reaction of boric acid, carbon and urea (or NH 3 ) at high temperatures [86,89]. The activated charcoal and graphene have been used as the source of carbon, the use of graphene giving rise to large sheets of BCN.…”

Section: Bcn Bmentioning

confidence: 99%

Transition Metal Dichalcogenides and Other Layered Materials

Jana¹,

Rao²

2017

2D Inorganic Materials Beyond Graphene

Self Cite

View full text Add to dashboard Cite

Abstract. The importance of two-dimensional (2D) materials needs to be recognised in a big way due to the discovery of graphene. It is noteworthy that research on 2D inorganic layered materials in the last few years has shown that these materials are equally fascinating, exhibiting several novel properties and phenomena. Especially, noteworthy is the variety of fascinating properties of single and few layers of MoS2 and related dichalcogenides. WTe2 exhibits the largest magnetoresistance recorded in materials. Then there are topological insulators such as Bi2Se3. Besides chalcogenides, there are materials such as boron nitrides and Borocarbonitrides with several interesting features. This chapter presents a brief review of the various 2D materials of interest today.

show abstract

Borocarbonitrides, BxCyNz

Cited by 144 publications

References 77 publications

First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene

First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

Transition Metal Dichalcogenides and Other Layered Materials

Contact Info

Product

Resources

About