Charge-transfer electronic states in organic solar cells
In organic solar cells, the charge-transfer (CT) electronic states that form at the interface
between the electron-donor (D) and electron-acceptor (A) materials have a crucial role in …
between the electron-donor (D) and electron-acceptor (A) materials have a crucial role in …
Contact resistance in organic field‐effect transistors: conquering the barrier
M Waldrip, OD Jurchescu… - Advanced functional …, 2020 - Wiley Online Library
Organic semiconductors have sparked interest as flexible, solution processable, and
chemically tunable electronic materials. Improvements in charge carrier mobility put organic …
chemically tunable electronic materials. Improvements in charge carrier mobility put organic …
Advances and challenges in single-molecule electron transport
Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …
several techniques, including mechanically controllable break junctions, electromigration …
Atomically precise bottom-up synthesis of π-extended [5] triangulene
The zigzag-edged triangular graphene molecules (ZTGMs) have been predicted to host
ferromagnetically coupled edge states with the net spin scaling with the molecular size …
ferromagnetically coupled edge states with the net spin scaling with the molecular size …
Combining wave function methods with density functional theory for excited states
We review state-of-the-art electronic structure methods based both on wave function theory
(WFT) and density functional theory (DFT). Strengths and limitations of both the wave …
(WFT) and density functional theory (DFT). Strengths and limitations of both the wave …
On-surface synthesis and characterization of [7] triangulene quantum ring
The ability to engineer geometrically well-defined antidots in large triangulene homologues
allows for creating an entire family of triangulene quantum rings (TQRs) with tunable high …
allows for creating an entire family of triangulene quantum rings (TQRs) with tunable high …
Dielectric screening meets optimally tuned density functionals
A short overview of recent attempts at merging two independently developed methods is
presented. These are the optimal tuning of a range‐separated hybrid (OT‐RSH) functional …
presented. These are the optimal tuning of a range‐separated hybrid (OT‐RSH) functional …
Coherent electron transport across a 3 nm bioelectronic junction made of multi-heme proteins
Multi-heme cytochromes (MHCs) are fascinating proteins used by bacterial organisms to
shuttle electrons within, between, and out of their cells. When placed in solid-state electronic …
shuttle electrons within, between, and out of their cells. When placed in solid-state electronic …
Charge transfer and orbital level alignment at inorganic/organic interfaces: the role of dielectric interlayers
M Hollerer, D Lüftner, P Hurdax, T Ules, S Soubatch… - ACS …, 2017 - ACS Publications
It is becoming accepted that ultrathin dielectric layers on metals are not merely passive
decoupling layers, but can actively influence orbital energy level alignment and charge …
decoupling layers, but can actively influence orbital energy level alignment and charge …
Effect of solid-state polarization on charge-transfer excitations and transport levels at organic interfaces from a screened range-separated hybrid functional
We develop a robust approach for the description of the energetics of charge-transfer (CT)
excitations and transport levels at organic interfaces based on a screened range-separated …
excitations and transport levels at organic interfaces based on a screened range-separated …