Naphthalene and its BN analogues in the weak coupling regime: a general rule for their I-V characteristics

Pati, Y Anusooya (2019) Naphthalene and its BN analogues in the weak coupling regime: a general rule for their I-V characteristics. In: MATERIALS RESEARCH EXPRESS, 6 (11).

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Abstract

Wehave computed the current-voltage (I-V) characteristics of naphthalene and its Boron-Nitrogen (BN) analogues coupled weakly to electrodes in quantum many-body basis. The master equation method has been employed to compute the current by obtaining the tunneling rate of charges from molecule to electrodes. We find that the nature of the I-V curve is solely governed by the charge density distributions of the excited states of the singly charged molecular device. We also find that the nature of the I-V curve is independent of the atoms involved in bridging the molecule to the electrode. We have further verified these inferences by obtaining the I-V curves of biphenyl molecule.

Item Type:	Journal Article
Publication:	MATERIALS RESEARCH EXPRESS
Publisher:	IOP PUBLISHING LTD
Additional Information:	Copyright of this article belongs to IOP PUBLISHING LTD
Keywords:	molecular electronics; electronic structure; quantum many-body method
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	16 Jan 2020 07:07
Last Modified:	16 Jan 2020 07:07
URI:	http://eprints.iisc.ac.in/id/eprint/64348

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