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Carbon nanomembranes (CNMs) are nanometer-thin disordered carbon materials that are suitable for a range of applications, from energy generation and storage, through to water filtration. The structure-property relationships of these…
Oxygen vacancies in nickelates are known to introduce a variety of emergent phenomena and are considered to significantly affect conductivity. Few studies have examined real-space evidence for oxygen vacancies on the surface, particularly…
It is demonstrated that the near-edge X-ray absorption fine structure (NEXAFS) provides a powerful local probe of functional groups in novel charge transfer (CT) compounds. Microcrystals of tetra- and hexamethoxypyrene as donors with the…
Cellulose is one of the most versatile substances in the world. Its immense variety of applications was in recent years complemented by interesting nanotechnological applications. The fabrication of complex cellulose-based materials asks…
On the occasion of its 25th anniversary, we revise Chen's derivative rule for electron tunneling [C.J. Chen, Phys. Rev. B 42, 8841 (1990)] for the purpose of computationally efficient simulations of scanning tunneling microscopy (STM) based…
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…
Topological Chern phases of quantum materials, as well as brane charges on M-theory orbifolds, have famously been argued to be classified by (orbi) topological K-theory, or possibly by other stable and, notably, complex-oriented cohomology…
A scheme for computing charge-transfer matrix elements with the linear combination of fragment molecular orbitals and the 'nonempirically tuned range-separated' density functional is presented. It takes account of the self-consistent…
A low-power stable tunnel diode oscillator with non-traditional single-layer flat pick-up coil is an excellent MHz-range instrument with which one may study weakly expressed peculiarities of the superconductive (SC) state in tiny plate-like…
Our understanding of how molecular clouds form in the interstellar medium (ISM) would be greatly helped if we had a reliable observational tracer of the gas flows responsible for forming the clouds. Fine structure emission from singly…
The electrostatic behavior of a prototypical three-dimensional topological insulator Bi$_2$Se$_3$(111) is investigated by a scanning tunneling microscopy (STM) study of the distribution of Rb atoms adsorbed on the surface. The positively…
Indium selenide is a phase-change chalcogenide whose polymorphism enables a variety of physical properties to be tuned. Here we directly quantify the evolution of the surface work function across the amorphous-to-crystalline transition in…
Here we show scanning tunnelling microscopy (STM), non-contact atomic force microscopy (AFM) and inelastic electron tunnelling spectroscopy (IETS) measurements on organic molecule with a CO- terminated tip at 5K. The high-resolution…
Understanding of clouds is instrumental in interpreting current and future spectroscopic observations of exoplanets. Modelling clouds consistently is complex, since it involves many facets of chemistry, nucleation theory, condensation…
The adsorption characteristics of alkali, alkaline earth and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon, are analyzed by means of first-principles calculations. In contrast to graphene, interaction…
Scanning probe microscopy (SPM) has been extensively applied to probe interfacial water in many interdisciplinary fields but the disturbance of the probes on the hydrogen-bonding structure of water has remained an intractable problem. Here…
We carried out a millimeter wavelength line survey between 79 and 356 GHz with the IRAM-30m telescope to investigate the physical and chemical properties of the molecular envelope of the oxygen-rich AGB star IK Tau. We analysed the…
The pathway toward the tailored synthesis of materials starts with precise characterization of the conformational properties and dynamics of individual molecules. Electron spin resonance based scanning tunneling microscopy can potentially…
The optoelectronic properties of nanoscale systems such as carbon nanotubes (CNTs), graphene nanoribbons and transition metal dichalcogenides (TMDCs) are determined by their dielectric function. This complex, frequency dependent function is…
Molybdenum supported thin films of ScN, MgO and NaF with a Cu adatom have been studied in the framework of density functional theory. We have observed a charge transfer from the metal/film interface to the Cu atom and investigated its…