Pathways for charge transport through material interfaces

The Journal of Chemical Physics
Yanay Tovi, Maytal Caspary Toroker

Abstract

Modeling charge transport across material interfaces is important for understanding the limitations of electronic devices such as transistors, electrochemical cells, sensors, and batteries. However, modeling the entire structure and full dimensionality of an interface can be computationally demanding. In this study, we investigate the validity of an efficient reduced one-dimensional Hamiltonian for calculating charge transport along interfaces by comparing to a two-dimensional model that accounts for additional charge transport pathways. We find that the one-dimensional model successfully predicts the qualitative trend of charge transmission probability among Pt/Fe2O3 and Ag/Fe2O3 interfaces. However, the two-dimensional model provides additional information on possible pathways that are not perpendicular to the interface direction. These charge transport pathways are directed along the lowest potential energy profile of the interface that correlates with the crystal structure of the constituting materials. However, the two-dimensional paths are longer and take more scattering time. Therefore, the one-dimensional model may hold sufficient information for qualitative estimation of charge transport through some material interfaces.

References

Sep 25, 1995·Physical Review Letters·J Bonca, S A Trugman
Jul 21, 2004·The Journal of Chemical Physics·Jörg LehmannPeter Hänggi
Mar 8, 2005·Nature Materials·Alexandre R RochaStefano Sanvito
Oct 24, 2007·The Journal of Chemical Physics·Maytal Caspary Toroker, Uri Peskin
Sep 26, 2009·The Journal of Chemical Physics·Natalya A Zimbovskaya, Maija M Kuklja
Jan 12, 2010·The Journal of Chemical Physics·Ryan Jorn, Tamar Seideman
Jan 15, 2011·Physical Review Letters·Youqi KeHong Guo
Jul 22, 2011·Physical Chemistry Chemical Physics : PCCP·Roie VolkovichUri Peskin
Apr 12, 2013·The Journal of Chemical Physics·Haobin Wang, Michael Thoss
Sep 24, 2013·Physical Chemistry Chemical Physics : PCCP·Xiang JiZhiping Yu
Feb 27, 2016·Journal of Chemical Theory and Computation·Ofer Neufeld, Maytal Caspary Toroker
Nov 23, 2017·The Journal of Chemical Physics·WenJie HouYiJing Yan
May 16, 2019·ACS Applied Materials & Interfaces·Mingguang ChenElena Bekyarova

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.