Electronic and magnetic properties of bulk Cr tips for scanning tunneling spectroscopy

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The CO2/CO electroreduction reaction (CO2RR/CORR) to liquid products presents an enticing pathway to store intermittent renewable electricity. However, the selectivity for desirable high-value C3 products, such as n-propanol, remains unsatisfactory in the ...

The electron density is an important object in quantum chemistry that is crucial for many downstream tasks in drug design. Recent deep learning approaches predict the electron density around a molecule from atom types and atom positions. Most of these meth ...

The oxidation behavior of stoichiometric Ti0.12Al0.21B0.67 coatings is investigated by scanning transmission electron microscopy (STEM) after oxidizing for 1, 4 and 8 h at 700 degrees C and at 800 and 900 degrees C. In the as deposited state, a similar to ...

The atomic configuration of phases and their interfaces is fundamental to materials design and engineering. Here, we unveil a transition metal oxide interface, whose formation is driven by energetic influences─epitaxial tensile strain versus oxygen octahed ...

Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is established as a promising material for solid-state nuclear cloc ...

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

Our understanding of quantum materials is commonly based on precise determinations of their electronic spectrum by spectroscopic means, most notably angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy. Both require atomicall ...

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Using scanning tunneling microscopy (STM), we experimentally and theoretically investigate isolated platinum phthalocyanine (PtPc) molecules adsorbed on an atomically thin NaCl(100) film vapor deposited on Au(111). We obtain good agreement between theory a ...

Controlled atomic patterning is an attractive tool to fine tune properties of graphitic lattice. Several O-functionalized derivatives of graphitic lattice have been widely studied, e.g., graphene oxide, reduced graphene oxide, and functionalized carbon nan ...

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We report the development of a continuous-wave and pulsed X-band electron spin resonance (ESR) spectrometer for the study of spins on ordered surfaces down to cryogenic temperatures. The spectrometer operates in ultra-high vacuum and utilizes a half-wavele ...

The low-energy electronic structure of nanographenes can be tuned through zero-energy pi-electron states, typically referred to as zero-modes. Customizable electronic and magnetic structures have been engineered by coupling zero-modes through exchange and ...

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Advancing quantum technologies depends on the precise control of individual quantum systems, the so-called qubits, and the exploitation of their quantum properties. Nowadays, expanding the number of qubits to be entangled is at the core of the developments ...

Electronic and magnetic properties of bulk Cr tips for scanning tunneling spectroscopy

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Cooperative promotion of electroreduction of CO to n-propanol by *CO enrichment and proton regulation

Lagnet: Better Electron Density Prediction for Lcao-based Data and Drug-like Substances

Passivating oxidation behavior of Ti0.12Al0.21B0.67 coatings investigated by scanning transmission electron microscopy and chemical environment dependent density functional theory simulations

Engineering Symmetry Breaking Interfaces by Nanoscale Structural-Energetics in Orthorhombic Perovskite Thin Films

Embedded cluster approach for accurate electronic structure calculations of 229Th:CaF2

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Compact and effective photon-resolved image scanning microscope

Scanning Tunneling Microscopy for Molecules: Effects of Electron Propagation into Vacuum

Nanolithography of the nanocorral structure of chemisorbed oxygen atoms on the graphitic lattice

Revealing the Mechanism Underlying 3D-AFM Imaging of Suspended Structures by Experiments and Simulations

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

Structural study of nickelate based heterostructures

Advancements in Nanomechanical Characterization and Biomolecular Imaging with Atomic force Microscopy

A continuous-wave and pulsed X-band electron spin resonance spectrometer operating in ultra-high vacuum for the study of low dimensional spin ensembles

Five-Membered Rings Create Off-Zero Modes in Nanographene

Dynamics of K2Ni2(SO4)3 governed by proximity to a 3D spin liquid model

Advances in High-Speed, Multiparametric Atomic Force Microscopy

A diamond spin qubit scanning probe microscope

Electron-beam based nanoscale quantum controls