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1.
ACS Omega ; 7(35): 30768-30772, 2022 Sep 06.
Article in English | MEDLINE | ID: mdl-36092607

ABSTRACT

Ceramic architectures based on chemical vapor deposition (CVD) are used to create unique crystal structures, morphologies, and properties. This study proposed room-temperature THz gas sensing using terahertz time-domain spectroscopy (THz-TDS) with ceramic architectures. We synthesized ceramic films on porous glass. Zinc oxide films were created using atmospheric CVD and amorphous carbon nitride films using the dissociative excitation reaction of BrCN with metastable Ar atoms. The transmission method was used in THz-TDS. A stainless hand-made gas cell with a Si window was applied for THz gas sensing. We defined "phase delay" equals VOC sensing response amount of sensing materials at each duration. Ppm-order THz gas sensing was performed.

2.
J Phys Chem A ; 117(37): 9099-107, 2013 Sep 19.
Article in English | MEDLINE | ID: mdl-23964643

ABSTRACT

The structure of alkali-metal atomic clusters is optimized with B3P86 hybrid functional for the highest spin state as well as with B3LYP hybrid functional for the lowest spin state. A dramatic change from plane to solid occurs in the highest spin state when the number of constituent atoms is four. The binding, exchange, and correlation energies are evaluated for both the highest and lowest spin states. Next, we explore the dependence of the exchange and correlation energies on the binding energy. The exchange energy contributes to the formation of the highest spin clusters, whereas the correlation energy contributes to the formation of the lowest spin clusters. The highest spin clusters are most stable when the exchange energy is a minimum. Then, to see why the ferromagnetic bond among spin-aligned identical atoms arises against Pauli exclusion principle, we estimate the mixing ratio of p orbitals in molecular orbitals. The s-p hybridization increases the binding energy in absolute value due to the extensive overlap of molecular orbitals and leads to generation of the highest spin clusters.


Subject(s)
Metals, Alkali/chemistry , Molecular Structure
3.
Article in English | MEDLINE | ID: mdl-22057299

ABSTRACT

The sticking probability, s, of CN(X(2)Σ(+)) radicals onto amorphous carbon nitride (a-CN(x)) films with high [N]/([N]+[C]) ratios (≤0.5) was evaluated. CN(X(2)Σ(+)) radicals were generated from the decomposition of BrCN with the microwave discharge flow of Ar in the two experimental configurations, I and II, where the distance between the tip of the nozzle introducing BrCN is close (≈10 mm) to and distant (≈0.3 m) from the laser-beam path or the Si substrate, respectively. For each configuration, s was evaluated both under the desiccated and H(2)O-added conditions from the number density of CN(X(2)Σ(+)) evaluated from the intensity of the CN(A(2)Π(i)-X(2)Σ(+)) laser-induced fluorescence spectrum calibrated against Rayleigh scattering intensity of Ar, the flow speed measured by a time-resolved emission, and the film mass. The [N]/([N]+[C]) ratios of films were evaluated as 0.4-0.5 and 0.3 in the configurations I and II, respectively, from the compositional analysis using Rutherford back scattering and elastic recoil detection analysis together with the XPS analysis. The variation of s under various experimental conditions was discussed based on the electron densities in the reaction region and the relative density of the hydrogen-termination structures of the film surface.


Subject(s)
Argon/chemistry , Bromides/chemistry , Chemistry, Organic/methods , Cyanides/chemistry , Free Radicals/chemistry , Microwaves , Nitriles/chemistry , Light , Scattering, Radiation , Spectrophotometry, Infrared , Spectrum Analysis, Raman
4.
Radiat Med ; 26(7): 422-6, 2008 Aug.
Article in English | MEDLINE | ID: mdl-18770000

ABSTRACT

PURPOSE: Our purpose was to investigate the frequency of intraarticular gas in the glenohumeral joint and sternoclavicular joint, along with the influence of the patient's arm position. MATERIALS AND METHODS: Multidetector-row computed tomography (MDCT) scan on a total of 104 healthy subjects was investigated retrospectively. Raised-arm and lowered-arm positions were used sequentially, and the presence of intraarticular gas was investigated. RESULTS: While the arms were in a raised position, intraarticular gas was observed in the glenohumeral joint about 9% of all subjects and in the sternoclavicular joint about 20% of all subjects. Intraarticular gas in the most subjects disappeared when the arms were lowered. CONCLUSION: When scanning with the arms in a raised position, intraarticular gas was seen in the glenohumeral and/or and sternoclavicular joint, and disappeared in most cases when the body position was changed. Such intraarticular gas is thought to result from traction of the limbs and is considered clinically insignificant.


Subject(s)
Gases/analysis , Shoulder Joint/diagnostic imaging , Sternoclavicular Joint/diagnostic imaging , Tomography, X-Ray Computed/methods , Adult , Arm , Female , Humans , Image Processing, Computer-Assisted , Male , Middle Aged , Observer Variation , Posture , Reference Values , Retrospective Studies
5.
Article in English | MEDLINE | ID: mdl-16920392

ABSTRACT

CN(X(2)Sigma(+)) radicals were produced by the decomposition of BrCN with the microwave discharge flow of Ar under the conditions of Ar pressure in the range of 0.40-0.70 Torr. The laser-induced fluorescence (LIF) spectra of the CN(A(2)Pi(i)-X(2)Sigma(+)), 4-0, 5-1, and 7-2 bands were observed, and their intensities were calibrated against Rayleigh-scattering intensity by Ar atoms, from which the CN(X(2)Sigma(+)) radical density (n(CN(X))) was determined as (0.67+/-0.25) x 10(18) to (4.42+/-0.83) x 10(18) m(-3). Hydrogenated amorphous carbon nitride (a-CN(x):H) films were formed by depositing the CN(X(2)Sigma(+)) radicals on Si substrates in the same reaction system as LIF. The sticking probability (s) of the CN(X(2)Sigma(+)) radicals onto the a-CN(x):H films was determined by using n(CN(X)), the flow speed, and the weight (w) of a-CN(x):H. The s value was determined as (6.4+/-6.4) x 10(-2) to (2.5+/-1.2) x 10(-2), where the errors are predominantly determined by those in n(CN(X)) and w. The procedure described in the present study will provide a methodology to determine the sticking probability of the precursor radicals of the film formation based on the gas-phase LIF spectroscopy.


Subject(s)
Cyanides/chemistry , Spectrometry, Fluorescence/methods , Chemistry, Physical/instrumentation , Chemistry, Physical/methods , Equipment Design , Free Radicals , Kinetics , Lasers , Microwaves , Probability , Scattering, Radiation
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