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Articles by Prokop Hapala
Non-equilibrium correlated electron dynamics in triangular molecular assemblies
Abstract Understanding and controlling charge states at the level of individual electrons in molecular assemblies is often hindered by system complexity and the lack of reliable theoretical framework to accurately model the underlying many-body non-equilibrium electron dynamics.
GridFF: Efficient Simulation of Organic Molecules on Rigid Substrates
1. Introduction Click to copy section linkSection link copied! The structural characterization and design of organic/inorganic interfaces represent a critical challenge across multiple research and technological fields, including friction and lubrication, (1−3) molecular electronics, (4) photovoltaics, (5) and scanning probe microscopy (SPM).
Computational Design of Photosensitive Polymer Templates To Drive Molecular Nanofabrication
Molecular electronics promises multiple benefits over contemporary semiconductor technology. A single molecule with size of <1 nm can perform functions more complex than the smallest transistor crafted from silicon crystal by photolithography measuring tens of nanometers. Molecular switches, (1,2) rectifiers, (3) transistors, (4) memories, (5,6) and motors (7) can be produced cheaply in large quantities by well-established methods of organic synthesis.
Automated structure discovery in atomic force microscopy
Abstract Atomic force microscopy (AFM) with molecule-functionalized tips has emerged as the primary experimental technique for probing the atomic structure of organic molecules on surfaces. Most experiments have been limited to nearly planar aromatic molecules due to difficulties with interpretation of highly distorted AFM images originating from nonplanar molecules.
Iron-based trinuclear metal-organic nanostructures on a surface with local charge accumulation
Figure 1b shows an STM image of TPPT molecules on Ag(111) (see inset of Fig. 1b for chemical structure and Methods for sample preparation). As observed for other aromatic molecules on noble metals18, TPPT adsorbs flat and is imaged as a “dog-bone” feature with “v-shaped” tpys, resembling its Lewis structure (see Ref. 19 for more details). Subsequent deposition of Fe results in the formation of self-assembled 1D nanostructures (Fig. 1c).
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