Energy level alignment at interfaces in metal halide perovskite solar cells
The rapid progress of organic–inorganic metal halide perovskite solar cells (PSCs) has
attracted broad interest in photovoltaic community. A typical PSC consists of anode/cathode …
attracted broad interest in photovoltaic community. A typical PSC consists of anode/cathode …
Supramolecular assemblies on surfaces: nanopatterning, functionality, and reactivity
Understanding how molecules interact to form large-scale hierarchical structures on
surfaces holds promise for building designer nanoscale constructs with defined chemical …
surfaces holds promise for building designer nanoscale constructs with defined chemical …
Bottom-up synthesis of nitrogen-doped porous graphene nanoribbons
Although methods for a periodic perforation and heteroatom doping of graphene sheets
have been developed, patterning closely spaced holes on the nanoscale in graphene …
have been developed, patterning closely spaced holes on the nanoscale in graphene …
Electronic structure of atomically precise graphene nanoribbons
Some of the most intriguing properties of graphene are predicted for specifically designed
nanostructures such as nanoribbons. Functionalities far beyond those known from extended …
nanostructures such as nanoribbons. Functionalities far beyond those known from extended …
Charge injection in solution‐processed organic field‐effect transistors: physics, models and characterization methods
A high‐mobility organic semiconductor employed as the active material in a field‐effect
transistor does not guarantee per se that expectations of high performance are fulfilled. This …
transistor does not guarantee per se that expectations of high performance are fulfilled. This …
[HTML][HTML] Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces
During the last decade, interest on the growth and self-assembly of organic molecular
species on solid surfaces spread over the scientific community, largely motivated by the …
species on solid surfaces spread over the scientific community, largely motivated by the …
Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism
One of the outstanding advancements in electronic‐structure density‐functional methods is
the Sankey–Niklewski (SN) approach [Sankey and Niklewski, Phys. Rev. B 40, 3979 (1989)]; …
the Sankey–Niklewski (SN) approach [Sankey and Niklewski, Phys. Rev. B 40, 3979 (1989)]; …
Design of organic semiconductors from molecular electrostatics
G Heimel, I Salzmann, S Duhm, N Koch - Chemistry of Materials, 2011 - ACS Publications
Progress in the field of organic electronics depends on the synthesis of new π-conjugated
molecules to further improve the performance of, for example, organic light-emitting diodes …
molecules to further improve the performance of, for example, organic light-emitting diodes …
Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces
JM Garcia-Lastra, C Rostgaard, A Rubio… - Physical Review B …, 2009 - APS
On the basis of first-principles G 0 W 0 calculations we systematically study how the
electronic levels of a benzene molecule are renormalized by substrate polarization when …
electronic levels of a benzene molecule are renormalized by substrate polarization when …
Exploiting mixed conducting polymers in organic and bioelectronic devices
Efficient transport of both ionic and electronic charges in conjugated polymers (CPs) has
enabled a wide range of novel electrochemical devices spanning applications from energy …
enabled a wide range of novel electrochemical devices spanning applications from energy …