Related papers: Molecular Tools for Non-Planar Surface Chemistry
The miniaturization of semiconductor devices to the scales where small numbers of dopants can control device properties requires the development of new techniques capable of characterizing their dynamics. Investigating single dopants…
Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, the predictive power of these simulations is only as…
We developed a multiscale approach (MultiSCAAL) that integrates the potential of mean force (PMF) obtained from all-atomistic molecular dynamics simulations with a knowledge-based energy function for coarse-grained molecular simulations in…
In the interstellar medium (ISM), the formation of complex organic molecules (COMs) is largely facilitated by surface reactions. However, in cold dark clouds, thermal desorption of COMs is inefficient because of the lack of thermal energy…
The fabrication of nanomaterials involves self-ordering processes of functional molecules on inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to equip molecules with functional groups. However, focusing on…
Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…
Interactions between atomic and molecular objects are to a large extent defined by the nanoscale electrostatic potentials which these objects produce. We introduce a scanning probe technique that enables three-dimensional imaging of local…
Quasi-two-dimensional (Quasi-2D) van der Waals (vdW) materials can be mechanically or chemically exfoliated down to monolayer because of their strong intralayer bonding and the weak interlayer vdW interaction. Thanks to this unique…
Near-field enhanced, nano-Raman spectroscopy has been successfully used to probe the surface chemistry of silicon prepared using standard wafer cleaning and processing techniques. The results demonstrate the utility of this measurement for…
Over the last two decades, prototype devices for future classical and quantum computing technologies have been fabricated, by using scanning tunneling microscopy and hydrogen resist lithography to position phosphorus atoms in silicon with…
Research in semiconductor physics has advanced to the study of two-dimensional (2D) materials where the surface controls electronic transport. A scanning probe microscope (SPM) is an ideal tool to image electronic motion in these devices by…
Sorting, filtering, moving and controlling colloidal particles is crucial in many fields, ranging from chemistry to biology and physics. Dielectrophoresis is an outstanding tool for the manipulation of small particles by AC electric fields,…
PROTACs, as a highly promising new. therapeutic paradigm, have attracted widespread attention from the academic and pharmaceutical communities in recent years. To date, the design and validation of PROTACs molecule's druggability primarily…
In an effort to understand skyrmion behavior on a coarse-grained level, skyrmions are often described as 2D quasi particles evolving according to the Thiele equation. Interaction potentials are the key missing parameters for predictive…
We focused on polydimethylsiloxane (PDMS) as a substrate for replication, micropatterning, and construction of biologically active surfaces. The novelty of this study is based on the combina-tion of argon plasma exposure of micropatterned…
We discuss an inverse approach for atomistic modeling of glassy materials. The focus is on structural modeling and electronic properties of hydrogenated amorphous silicon and glassy GeSe2 alloy. The work is based upon a new approach…
Molecular adsorption is the first important step of many surface-mediated chemical processes, from catalysis to tribology. This phenomenon is controlled by physical/chemical interactions, which can be accurately described by first…
Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative impact on the design of multifunctional electrical and optical…
Scanning tunneling microscopy (STM) has been a fundamental tool to characterize many-body effects in condensed matter systems, from extended solids to quantum dots. STM of molecules decoupled from the supporting conductive substrate has the…
The miniaturization and integration of electronic circuitry has not only made the enormous increase in performance of semiconductor devices possible but also spawned a myriad of new products and applications ranging from a cellular phone to…