We observed that the negative differential resistance feature of four different arrangements of a thiol-ended trimer unit of cis-polyacetylene is greatly influenced by the orientation of the molecule with respect to the electrodes, and surprisingly, the feature has completely been lost in one of the arrangements. We provide convincing theoretical evidence for the nonexistence of the negative differential resistance feature by monitoring the shift in the transmission peak across the bias window combined with molecular projected self-consistent Hamiltonian states analyses. © 2008 American Chemical Society.

S SEN

S CHAKRABARTI

University of Calcutta (informally known as Calcutta University or CU) is a collegiate public state university located in Kolkata, West Bengal, India.&nbsp;Within India it is recognized as a &quot;Five-Star University&quot; and accredited &quot;A&quot; Grade by National Assessment and Accreditation Council.

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The University of Calcutta has secured the Fifth position among the Universities of India in the prestigious &quot;Indian University Ranking 2019&quot; list, released by the NIRF of the Ministry of Human Resource Development, Government of India.

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It was established on 24 January 1857, and was one of the first institutions in Asia to be established as a multidisciplinary and Western-style university. Its alumni and faculty include several heads of state, heads of government, social reformers, prominent artists, only academy award winner and Dirac medal winner in India, many Fellows of the Royal Society and five Nobel laureates as of 2019 which is highest in South Asia.

University Of Calcutta

Journal of Physical Chemistry C

We investigate the electronic transport properties of a trimer unit of cis-polyacetylene and a fused furan trimer using the ab initio density functional technique. Within the density functional theory, the effect of finite bias is introduced through nonequilibrium Green's functions. In the present study, both of the molecular systems have a thiol end group and they form a self-assembled monolayer on the Au (111) surface. The current-voltage characteristics of both the trimer unit of cis-polyacetylene and the fused furan trimer exhibit negative differential resistance over a certain range of bias voltage (±2.1 to ±2.45 V), and it is quite evident from the plot of differential conductance versus voltage. A detailed analysis of the origin of negative differential resistance has been given by observing the shift in transmission resonance peak across the bias window with varying bias voltage. The origin of the transmission resonance peak at certain bias voltages has been described from a study of molecular projected self-consistent Hamiltonian states. © 2008 American Chemical Society.

Ab initio density functional study on negative differential resistance in a fused furan trimer

Physical Review Letters

Reducing the Molecule-Substrate Coupling inC60-Based Nanostructures by Molecular Interactions

The Journal of Physical Chemistry C

Theoretical Study of Donor−π-Bridge−Acceptor Unimolecular Electric Rectifier

Astability and Negative Differential Resistance of the Wigner Solid

Inorganic Chemistry

Negative Differential Resistance and Memory Effect in Diodes Based on 1,4-Dibenzyl C60 and Zinc Phthalocyanine Doped Polystyrene Hybrid Material

How important is the position of the molecule between the electrodes in tuning negative differential resistance behavior?

Journal	Journal of Physical Chemistry C
Publisher	AMER CHEMICAL SOC
ISSN	1932-7447