The breakdown voltage has been found to be dependent on the gap width between the electrodes and on the melting point of the sample elements in spark-source mass-spectrometry (SSMS). The number of discharges per pulse train and the time required to reach the first discharge depend only on the chosen breakdown voltage. The spark gap is proportional to the "radius" of the volume sampled (for a given element) and this radius is linearly related to the reciprocal of the melting point of the elements (23 different elements, metals or semiconductors), when fixed spark-parameters are used. The effect of electrode temperature on material consumption can be qualitatively explained by a fictive increase or decrease in melting point of the element. Knowledge of the relations between the different spark and instrumental parameters and the volume or weight of sample consumed can be applied to the study of the homogeneity of samples, to in-depth analysis by SSMS and to the analysis of microsamples.
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http://dx.doi.org/10.1016/0039-9140(84)80046-6 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Institute of New Energy Technology, College of Physics & Optoelectronic Engineering, Jinan University, Guangzhou 510632, China.
Trigonal selenium (t-Se) is a promising wide-band-gap photovoltaic material with a high absorption coefficient, abundant resources, simple composition, nontoxicity, and a low melting point, making it suitable for absorbers in advanced indoor and tandem photovoltaic applications. However, severe electrical losses at the rear interface of the t-Se absorber, caused by work function and lattice mismatches, limit the voltage output and overall performance. In this study, a strategy to enhance carrier transport and collection by modifying interfacial chemical interactions is proposed.
View Article and Find Full Text PDFJ Chem Phys
January 2025
School of Chemistry, Beihang University, Beijing 100191, China.
Dynamic density functional theory (DDFT) is a fruitful approach for modeling polymer dynamics, benefiting from its multiscale and hybrid nature. However, the Onsager coefficient, the only free parameter in DDFT, is primarily derived empirically, limiting the accuracy and broad application of DDFT. Herein, we propose a machine learning-based, bottom-up workflow to directly extract the Onsager coefficient from molecular simulations, circumventing partly heuristic assumptions in traditional approaches.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Institute of Photoelectronic Thin Film Devices and Technology, Tianjin Key Laboratory of Thin Film Devices and Technology, Nankai University, Tianjin 300350, China.
Kesterite Cu2ZnSn(S,Se)4 (CZTSSe) has emerged as a promising photovoltaic material due to its low cost and high stability. The CZTSSe film for high-performance solar cells can be obtained by annealing the deposited CZTS precursor films with selenium (a process known as selenization). The design of the selenization process significantly affects the quality of the absorber layer.
View Article and Find Full Text PDFJ Chem Eng Data
January 2025
Institute of Physical Chemistry, Technical University Darmstadt, Peter-Grünberg-Straße 8, Darmstadt D-64287, Germany.
The thermal behavior of -octanol and related ether alcohols has been studied by differential scanning calorimetry (DSC). The melting point, heat of fusion, and isobaric heat capacities of -octanol obtained from the DSC measurements are in good agreement with literature values. The ether alcohols display kinetic barriers for forming a solid phase during cooldown.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
School of Environment and Safety Engineering, North University of China, Taiyuan, Shanxi 030051, China.
DNP (3,4-dinitropyrazole) has attracted much interest due to its promising melting characteristics and high detonation performances, such as low melting point, high density, high detonation velocity, and low sensitivity. In this work, first-principles molecular dynamics (MD) simulations were performed to investigate the anisotropic shock response of DNP in conjunction with the multiscale shock technique (MSST). The initial decomposition mechanism was revealed through the evolution of the chemical reaction and product analysis.
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