Please use this identifier to cite or link to this item: https://libjncir.jncasr.ac.in/xmlui/handle/10572/2553
Title: Criticality of surface topology for charge-carrier transport characteristics in two-dimensional borocarbonitrides: design principles for an efficient electronic material
Authors: Banerjee, Swastika
Pati, Swapan Kumar
Keywords: Chemistry
Nanoscience & Nanotechnology
Materials Science
Applied Physics
Chemical-Vapor-Deposition
Initio Molecular-Dynamics
Total-Energy Calculations
Wave Basis-Set
Doped Graphene
Metals
Issue Date: 2014
Publisher: Royal Society of Chemistry
Citation: Banerjee, S; Pati, SK, Criticality of surface topology for charge-carrier transport characteristics in two-dimensional borocarbonitrides: design principles for an efficient electronic material. Nanoscale 2014, 6 (22) 13430-13434, http://dx.doi.org/10.1039/c4nr04198d
Nanoscale
6
22
Abstract: We have studied the effect of the spatial distribution of B, N and C domains in 2-dimensional borocarbonitrides and its influence on carrier mobility, based on density functional theory coupled with the Boltzmann transport equation. Two extreme features of C-domains in BN-rich B2.5CN2.5, namely, BCN-I (random) and BCN-II (localized), have been found to exhibit an electron (hole) mobility of similar to 10(6) cm(2) V-1 s(-1) (similar to 10(4) cm(2) V-1 s(-1)) and similar to 10(3) cm(2) V-1 s(-1) (similar to 10(6) cm(2) V-1 s(-1)) respectively. We have ascertained the underlying microscopic mechanisms behind such an extraordinarily large carrier mobility and the reversal of conduction polarity. Finally, we have derived the principle underlying the maximization of mobility and for obtaining a particular (electron/hole) conduction polarity of this nanohybrid in any stoichiometric proportion.
Description: Restricted Access
URI: https://libjncir.jncasr.ac.in/xmlui/10572/2553
ISSN: 2040-3364
Appears in Collections:Research Articles (Swapan Kumar Pati)

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