Using scanning tunneling microscopy (STM), we experimentally and theoretically investigate
isolated platinum phthalocyanine (PtPc) molecules adsorbed on an atomically thin NaCl …

We describe a first-principles method to calculate scanning tunneling microscopy (STM)
images, and compare the results to well-characterized experiments combining STM with …

We present a method capable of calculating elastic scanning tunneling microscopy (STM)
currents from localized atomic orbital density functional theory (DFT). To overcome the poor …

Scanning tunneling microscopy (STM) is one of the most popular techniques for precise
characterization. Yet, its current theoretical implementation is often based on the periodic …

Understanding the interactions between a tip apex and a target atom or molecule is crucial
for the manipulation of individual molecules with precise control by using scanning …

Line shapes of molecular vibrational quanta in inelastic electron tunneling spectroscopy
may indicate the strength of electron-vibration coupling, the hybridization of the molecule …

Nanosystems play an important role in many applications. Due to their complexity, it is
challenging to accurately characterize their structure and properties. An important means to …

We present a method used to intuitively interpret the scanning tunneling microscopy (STM)
contrast by investigating individual wave functions originating from the substrate and tip …

The main body of this thesis describes how to calculate scanning tunneling microscopy
(STM) images from first-principles methods. The theory is based on localized orbital density …

The Kondo effect and inelastic electron tunneling are important physical effects, that give
rise to Fano-like line shapes in the current-voltage characteristics through single adatoms …