Download full-text PDF

Source
http://dx.doi.org/10.1103/physrevb.42.8890DOI Listing

Publication Analysis

Top Keywords

energy gaps
4
gaps measured
4
measured scanning
4
scanning tunneling
4
tunneling microscopy
4
energy
1
measured
1
scanning
1
tunneling
1
microscopy
1

Similar Publications

The study of transient and variable events, including novae, active galactic nuclei, and black hole binaries, has historically been a fruitful path for elucidating the evolutionary mechanisms of our universe. The study of such events in the millimeter and submillimeter is, however, still in its infancy. Submillimeter observations probe a variety of materials, such as optically thick dust, which are hard to study in other wavelengths.

View Article and Find Full Text PDF

Background: Prostate cancer (PCa) is a significant malignancy in men, particularly challenging in the metastatic stage due to poor prognosis and limited treatment efficacy. Traditional Chinese Medicine, particularly Modified Shenqi Dihuang Decoction (MSDD), has demonstrated promise in inhibiting PCa metastasis, although its mechanisms remain unclear.

Methods: The efficacy of MSDD was evaluated using migration assays and a nude mouse model.

View Article and Find Full Text PDF

Mechanical Modulation of S-S and S-T Energy Gaps of 11- and All- Retinal Schiff Bases.

J Phys Chem B

January 2025

Departamento de Química Analítica, Química Física e Ingeniería Química, Universidad de Alcalá, Alcalá de Henares, Madrid E-28871, Spain.

The retinal Schiff base is a chromophore of significant biological relevance, as it is responsible for capturing sunlight in rhodopsins, which are photoactive proteins found in various living organisms. Additionally, this chromophore is subjected to various mechanical forces in different proteins, which alter its structure and, consequently, its properties. To thoroughly understand the mechanical response limits of the retinal excitation energy, a simple first-order formalism has been developed to quantify the chromophore's optimal mechanical response to applied external forces (on the order of tens of pN).

View Article and Find Full Text PDF

The Best of Both Worlds: ΔDFT Describes Multiresonance TADF Emitters with Wave-Function Accuracy at Density-Functional Cost.

J Phys Chem Lett

January 2025

Mulliken Center for Theoretical Chemistry, Clausius Institute for Physical and Theoretical Chemistry, Rheinische Friedrich-Wilhelms Universität Bonn, Beringstraße 4, 53115 Bonn, Germany.

With their narrow-band emission, high quantum yield, and good chemical stability, multiresonance thermally activated delayed fluorescence (MR-TADF) emitters are promising materials for OLED technology. However, accurately modeling key properties, such as the singlet-triplet (ST) energy gap and fluorescence energy, remains challenging. While time-dependent density functional theory (TD-DFT), the workhorse of computational materials science, suffers from fundamental issues, wave function-based coupled-cluster (CC) approaches, like approximate CC of second-order (CC2), are accurate but suffer from high computational cost and unfavorable scaling with system size.

View Article and Find Full Text PDF

PbZrTiO cubes with tunable sizes and cuboids have been hydrothermally synthesized. PbZrTiO cubes with three different Zr : Ti atomic percentages were also prepared. Analysis of synchrotron X-ray diffraction (XRD) patterns reveals the presence of two lattice components for these samples.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!