Effective Work Functions of the Elements: Database, Most probable value, Previously recommended value, Polycrystalline thermionic contrast, Change at critical …

H Kawano - Progress in surface science, 2022 - Elsevier
As a much-enriched supplement to the previous review paper entitled the “Effective work
functions for ionic and electronic emissions from mono-and polycrystalline surfaces”[Prog …

Energy‐level alignment at organic/metal and organic/organic interfaces

S Braun, WR Salaneck, M Fahlman - Advanced materials, 2009 - Wiley Online Library
In this Review, we summarize recent work on modeling of organic/metal and organic/organic
interfaces. Some of the models discussed have a semiempirical approach, that is …

Molecular tunnel junctions based on π-conjugated oligoacene thiols and dithiols between Ag, Au, and Pt contacts: effect of surface linking group and metal work …

BS Kim, SH Choi, XY Zhu… - Journal of the American …, 2011 - ACS Publications
The tunneling resistance and electronic structure of metal–molecule–metal junctions based
on oligoacene (benzene, naphthalene, anthracene, and tetracene) thiol and dithiol …

The interface energetics of self-assembled monolayers on metals

G Heimel, L Romaner, E Zojer… - Accounts of Chemical …, 2008 - ACS Publications
Self-assembled monolayers (SAMs) of organic molecules generally modify the surface
properties when covalently linked to substrates. In organic electronics, SAMs are used to …

A systematic search for minimum structures of small gold clusters Aun (n= 2–20) and their electronic properties

B Assadollahzadeh, P Schwerdtfeger - The Journal of chemical …, 2009 - pubs.aip.org
A systematic search for global and energetically low-lying minimum structures of neutral
gold clusters Aun (n= 2–20) is performed within a seeded genetic algorithm technique using …

A quantum-chemical perspective into low optical-gap polymers for highly-efficient organic solar cells

C Risko, MD McGehee, JL Brédas - Chemical Science, 2011 - pubs.rsc.org
The recent and rapid enhancement in power conversion efficiencies of organic-based, bulk-
heterojunction solar cells has been a consequence of both improved materials design and …

Organic surfaces exposed by self-assembled organothiol monolayers: Preparation, characterization, and application

M Kind, C Wöll - Progress in Surface Science, 2009 - Elsevier
Organic surfaces play a major role in materials science. Most surfaces that we touch in our
daily lives are made from organic materials, eg, vegetables, fruit, skin, wood, and textiles …

Understanding chemical versus electrostatic shifts in X-ray photoelectron spectra of organic self-assembled monolayers

TC Taucher, I Hehn, OT Hofmann… - The Journal of …, 2016 - ACS Publications
The focus of the present article is on understanding the insight that X-ray photoelectron
spectroscopy (XPS) measurements can provide when studying self-assembled monolayers …

Surface characterization of sulfur and alkanethiol self-assembled monolayers on Au (111)

C Vericat, ME Vela, GA Benitez… - Journal of Physics …, 2006 - iopscience.iop.org
In the last two decades surface science techniques have decisively contributed to our
present knowledge of alkanethiol self-assembled monolayers (SAMs) on solid surfaces …

Toward control of the metal− organic interfacial electronic structure in molecular electronics: a first-principles study on self-assembled monolayers of π-conjugated …

G Heimel, L Romaner, E Zojer, JL Brédas - Nano letters, 2007 - ACS Publications
Self-assembled monolayers (SAMs) of organic molecules provide an important tool to tune
the work function of electrodes in plastic electronics and significantly improve device …