The length dependence of the Raman spectra and vibrational properties of biphenylene strips are explored using density functional theory. The Raman intensity of two bands increases and decreases with length due to the enlarging and shrinking of the proportion of effective vibrating units. The red shift of vibrational modes is observed with the increase in length, owing to the various vibrational characteristics of the effective vibrating units. More importantly, a linear relationship between the energy gap and the wavenumber of the shifting Raman bands is obtained. The results allow us to interpret the length-dependence of the Raman spectra from the perspective of localized vibrational characteristics and suggest that Raman spectroscopy can be used as a convenient method to determine the energy gap of nanomaterials.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d3cp01885g | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A sum-frequency generation vibrational spectroscopy studies on buried liquid/liquid interfaces of CCl4/[Cnmim][TFSA] (n = 4 and 8) hydrophobic ionic liquids.
J Chem Phys
January 2025
Department of Materials Science and Engineering, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo 152-8552, Japan.
The liquid/liquid interfaces of room-temperature ionic liquids (RTILs) play a pivotal role in chemical reactions owing to their characteristic microscopic structure, yet the structure of hydrophobic liquid/RTIL interfaces remains unclear. We studied the structure at the liquid/liquid interfaces of carbon tetrachloride (CCl4) and 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ([Cnmim][TFSA]; n = 4 and 8) RTILs using infrared-visible sum frequency generation (SFG) vibrational spectroscopy. A comparison of the SFG spectra of the CCl4/RTIL and air/RTIL interfaces revealed that the solvation of the alkyl chains of the [Cnmim]+ cations by CCl4 reduces the number of gauche defects in the alkyl chain and the interface number density of the cation at the CCl4 interface.
View Article and Find Full Text PDFExperimental and Theoretical Force Constants as Meaningful Indicator for Interatomic Bonding Characteristics and the Specific Case of Elemental Antimony.
Adv Mater
January 2025
Felix-Bloch-Institut für Festkörperphysik, Universität Leipzig, Linnéstraße 5, 04103, Leipzig, Germany.
Stable Sb exhibits a rhombohedral structure, often referred to as distorted primitive cubic, with each Sb atom having three short and three longer first neighbor bonds. However, this crystal structure can also be interpreted as being layered, putting emphasis on only three short first neighbor bonds. Therefore, temperature-dependent extended X-ray absorption fine structure (EXAFS) spectroscopy is carried out at the Sb K-edge in order to obtain more detailed information on local structural and vibrational properties.
View Article and Find Full Text PDFTouching at a distance: the elaboration of communicative functions from the perspective of the interactants.
Front Psychol
December 2024
i3, UMR-9217 CNRS Télécom Paris, Institut Polytechnique de Paris, Palaiseau, France.
Touch is an inherent part of human social interactions and the diversity of its functions has been highlighted in numerous works. Given the varied roles of touch, with technology-mediated communication being a big part of our everyday lives, research has been interested in enabling and enhancing distant social interactions with mediated touch over networks. Due to the complexity of the sense of touch and technological limitations, multimodal devices have been developed and investigated.
View Article and Find Full Text PDFUnderstanding MASH: An Examination of Progression and Clinical Outcomes by Disease Severity in the TARGET-NASH Database.
Adv Ther
December 2024
Novo Nordisk Inc., 800 Scudders Mill Rd, Plainsboro, NJ, 08536, USA.
Introduction: Metabolic dysfunction-associated steatohepatitis (MASH), the progressive form of metabolic dysfunction-associated steatotic liver disease (MASLD), is linked to cardiometabolic risk factors such as obesity and type 2 diabetes (T2D). The rising prevalence of MASH and risk of hepatic and extra-hepatic complications emphasize the need for a better understanding of disease progression and associated outcomes. This study aimed to evaluate the incidence of, and demographic and clinical characteristics associated with, progression to MASH-related complications by disease severity in patients with non-cirrhotic MASH or MASH cirrhosis.
View Article and Find Full Text PDFLow-frequency bladder vibration for the treatment of urinary tract infections in spinal cord injury patients with neurogenic bladder.
Int Urol Nephrol
December 2024
Department of Nursing, The First Affiliated Hospital of Soochow University, Suzhou, China.
Purpose: Evaluate if low-frequency bladder vibration (LFBV) combined with clean intermittent catheterization (CIC) alleviated urinary tract infections (UTIs) in spinal cord injury (SCI) patients with neurogenic bladder (NB).
Methods: A single-blind randomized controlled trial was conducted. Patients who developed UTIs while rehabilitating from SCI were enrolled continuously between January 2021 and March 2023 and randomly assigned to the control or the intervention group.
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!