共查询到20条相似文献,搜索用时 0 毫秒
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Junchao Liu Huilei Han Xiaotong Zhang Shichang Li Sang Ge Guanghui Zhang Tao Gao 《International Journal of Hydrogen Energy》2018,43(41):19152-19163
The structural, electronic, vibrational and thermodynamic properties of Zr1?xHfxCoH3 (x = 0.0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) are investigated using first principles approach based on the virtual crystal approximation (VCA). The results indicate the series Zr1?xHfxCoH3 have the similar physical properties. When Hf concentration increases gradually, the lattice parameter reduces and the thermodynamic stability first decreases and then increases, respectively. The calculated results of charge distributions and electron localization function (ELF) suggest that the interactions of HCo and HZr1?xHfx are primarily metallic with a small covalent component. The band structure and the corresponding density of states (DOS) around the Fermi level (Ef) indicate the metallicity enhances and the electrical conductivity is better with increasing Hf content. The phonon density of states imply that with the increase of Hf content, the covalent interactions between H(4c2) and Zr1?xHfx are weakened, while the covalent interactions between H(8f1) and Zr1?xHfx basically remained unchanged (H(4c2) and H(8f1) represent the hydrogen atoms occupying 4c2 and 8f1 site, respectively), which is consistent with the results of charge density. Finally, the thermodynamic properties are obtained and discussed on the base of the obtained vibrational properties. 相似文献
3.
《International Journal of Hydrogen Energy》2023,48(39):14785-14794
To explore the high storage capacity of hydrogen storage material, the structural feature and hydrogenated mechanism of Li4BN3H10 alkali metal hydrides are studied by using the first-principles calculations. The calculated result predicts that the Li4BN3H10 and Rh4BN3H10 are thermodynamic and dynamical stabilities according to the phonon dispersion and thermodynamic model. Essentially, the hydrogen storage mechanism of AM4BN3H10 hydride mainly depends on the formation of [BH4] group and [NH2] group. Compared to LiBH4, the hybridization between the B atom and H atom in [BH4] group and between the N atom and H atom in [NH2] group can store a lot of hydrogen. However, the dehydrogenation of AM4BN3H10 hydride prefers to [BH4] group rather than the [NH2] group. The narrow band gap is beneficial to hydrogen release in AM4BN3H10 hydride. Therefore, the Rb4BN3H10 has better hydrogen release properties in comparison to the Li4BN3H10 and Na4BN3H10. Therefore, we believe that the AM4BN3H10 hydride is a promising hydrogen storage material with the high hydrogen storage capacity. 相似文献
4.
Hideki Matsubara Tatsuya Tanabe Akihiro Moto Yasuo Mine Shigenori Takagishi 《Solar Energy Materials & Solar Cells》1998,50(1-4):177-184
We have applied an InGaAs solar cell (band GAP = 0.75 eV) to the bottom cell of the super-high-efficiency tandem solar cell aiming an over 35% conversion efficiency. The InGaAs cell which is lattice-matched to the InP substrate showed the efficiency of 5.5% under the GaAs substrate with low carrier concentration. Combining with the GaAs cell by means of a mechanically stacking technique, we obtained an efficiency of 28.8% at air mass (AM) 1.5, 1-sun. This result suggests the possibility of the cells with the efficiency of over 35% with combining a GalnP/GaAs monolithic tandem cell and the InGaAs cell (or InGaAsP cell). 相似文献
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This paper reviews the present status of radiation-resistant solar cells made with Si, GaAs, InP and InGaP/GaAs for space use. At first, properties of radiation-induced defects in semiconductor materials and solar cells are described based on an anomalous degradation of Si space solar cells under high-energy, high-fluence electron and proton irradiations. Advantages of direct bandgap materials as radiation-resistant space cells are presented. Unique properties of InP as radiation-resistant cells have also been found. A world-record efficiency of 26.9% (AM0) has been obtained for an InGaP/GaAs tandem solar cell. Radiation-resistance of the InGaP/GaAs tandem cells is described. 相似文献
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Kanglin Xiong Shulong Lu Jianrong Dong Taofei Zhou Desheng Jiang Rongxin Wang Hui Yang 《Solar Energy》2010,84(12):1975-1978
There are many difficulties limiting the further development of monolithic multi-junction solar cells, such as the growth of lattice-mismatched material and the current matching constraint. As an alternative approach, the light-splitting photovoltaic system is investigated intensively in different aspects, including the energy loss mechanism and the choice of energy bandgaps of solar cells. Based on the investigation, a two-dual junction system has been implemented employing lattice-matched GaInP/GaAs and InGaAsP/InGaAs cells grown epitaxially on GaAs and InP substrates, respectively. 相似文献
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E. Aperathitis A. C. Varonides C. G. Scott D. Sand V. Foukaraki M. Androulidaki Z. Hatzopoulos P. Panayotatos 《Solar Energy Materials & Solar Cells》2001,70(1):0523021
The performance of Al0.36Ga0.64As p/i/n solar cells with multiple quantum wells (MQW) of GaAs/Al0.36Ga0.64As in the i-region has been investigated at various temperatures, ranging from −10°C to 100°C, and compared with that of conventional solar cells composed of either the quantum well material (GaAs) or the barrier material (Al0.36Ga0.64As) alone. The dark currents of the MQW cells were found to lie between those of the conventional cells. The increase of dark current with temperature was accompanied by a slight decrease of the diode ideality factor. A linear dependence of open-circuit voltage (Voc) on temperature was observed for all cells when illuminated with a 100W halogen lamp. Voc for the MQW cells was found to be independent of the number of wells, lying between the Voc's for the two conventional cells. The MQW cells exhibited performance improvement with temperature when compared to the conventional cells and there was a significant enhancement in the short-circuit current with temperature of those MQW cells that exhibited poorer performance at lower temperatures. Theoretical calculations have quantified the contribution of the tunneling current component to the total observed photocurrent at the various temperatures examined. It was found that tunneling currents are present at all temperatures and can be the dominant component in MQW cells of thinner wells at low temperatures. These results suggest that GaAs/Al0.36Ga0.64As MQW structures, of good-quality material, when processed as conventional solar cells with antireflective coatings should deliver more output power under intense illumination than conventional solar cells composed of the quantum well material alone. 相似文献
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Supachok Thainoi Suwaree Suraprapapich Montri Sawadsaringkarn Somsak Panyakeow 《Solar Energy Materials & Solar Cells》2006,90(18-19):2989-2994
p-GaAs substrate was used as the starting material in molecular beam epitaxial growth. n-type GaAlAs for heterostructure and n-GaAs capping layer were then grown after a buffer layer deposition on the substrate. The n-GaAlAs on p-GaAs heterostructure solar cells, with active area of 13.25 mm2 under 100 mW/cm2 AM1 illumination light source, provide a typical output as follows: Voc=0.73 V, Isc=6 mA, FF=0.7 and η=23% (active area). Spectral response measurements from 500 to 850 nm reflects the window effect of GaAlAs and band edge of GaAs materials. 相似文献
9.
The ac parameters of GaAs/Ge solar cell were measured under illumination at different cell temperatures using impedance spectroscopy technique. They are compared with the dark measurements. It is found that the cell capacitance is higher and cell resistance is lower under illumination than in dark for all cell terminal voltages. The cell capacitances at the corresponding maximum power point voltage (terminal) do not vary with temperature where as the cell resistance decreases. The cell capacitance under illumination is estimated from the dark cell capacitance and it is in good agreement with the measured illumination data. 相似文献
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《International Journal of Hydrogen Energy》2022,47(84):35903-35913
The outstanding physical properties make TM5Si4 silicides become the potential silicon-based transition-metal ultrahigh-temperature materials. In present work, we adopt the first-principles scheme to explore the structural stability, mechanical properties and explain the hydrogenated mechanism of Ti5Si4, Zr5Si4 and Hf5Si4 using the electronic structures. And the investigation increases the theoretical support for the developments and applications of TM5Si4 silicides. Three hydrogenated models have shown that the hydrogen displays the stability for hydrogenated TM5Si4 compounds. Furthermore, the introduction of hydrogen occupation has weakened the elastic properties of TM5Si4. The metallic property of TM5Si4 and three hydrogenated models was confirmed by the electronic structures. The localized hybridization between hydrogen and TM5Si4 confirm the hydrogenated structural stability. 相似文献
11.
《International Journal of Hydrogen Energy》2019,44(29):15173-15182
XNiH3 (X = Li, Na, and K) perovskite type hydrides have been studied by using Density Functional Theory (DFT) and these materials are found to be stable and synthesizable. The X-ray diffraction patterns have been obtained and they indicate that all materials have the polycrystalline structure. The electronic properties have been investigated and it has been found that these structures show metallic character. The Bader partial charge analysis has also been performed. In addition, the elastic constants have been calculated and these materials are found to be mechanically stable. Using these elastic constants, the mechanical properties such as bulk modulus, shear modulus, Poisson's ratio have been obtained. Moreover, the Debye temperatures and thermal conductivities have been studied. The anisotropic elastic properties have been visualized in three dimensions (3D) for Young's modulus, linear compressibility, shear modulus and Poisson's ratio as well as with the calculation of the anisotropic factors. Additionally, the dynamical stability has been investigated and obtained phonon dispersion curves show that these materials are dynamically stable. Also, the thermal properties including free energy, enthalpy, entropy and heat capacity have been studied. The hydrogen storage properties have been examined and the gravimetric hydrogen storage capacities have been calculated as 4.40 wt%, 3.57 wt% and 3.30 wt% for LiNiH3, NaNiH3 and KNiH3, respectively. Furthermore, the hydrogen desorption temperatures have been obtained as 446.3 K, 419.5 K and 367.5 K for LiNiH3, NaNiH3 and KNiH3, respectively. 相似文献
12.
O. Lupan S. Shishiyanu H. Khallaf T. Shishiyanu E. Monaico 《Solar Energy Materials & Solar Cells》2009,93(8):1417-1422
Al-doped ZnO thin films have been prepared by a novel successive chemical solution deposition technique. The variation in morphological, structural, electrical, and optical properties of nanostructured films with doping concentration is investigated in details. It was demonstrated that rapid photothermal processing (RPP) improves the quality of nanostructured ZnO films according to the enhancement of resonant Raman scattering efficiency, and the suppression of the visible luminescence with the increase of RPP temperature. It was found from the I-V characteristics of ZnO/Si heterojunction that the average short-circuit current density is about 8 mA/cm2. For 1%Al-doped ZnO/SiO2/Si structure, the short-circuit current density is about 28 mA/cm2. The improvement shown in the characteristics may be assigned partially to the reduction of the defect density in the nanostructured Al-doped ZnO films after RPP. The correlations between the composition, microstructure of the films and the properties of the solar cell structures are discussed. The successive chemically deposited Al-doped ZnO thin film offers wider applications of low-cost solar cells in heterojunction structures. 相似文献
13.
Wang Rong Guo Zengliang Zhang Xinghui Zhai Zuoxu 《Solar Energy Materials & Solar Cells》2003,77(4):745
This paper reports the high-energy proton irradiation effects on GaAs/Ge space solar cells. The solar cells were irradiated by protons with energy of 5–20 MeV at a fluence ranging from 1×109 to 7×1013 cm−2, and then their electric parameters were measured at AM0. It was shown that the Isc, Voc and Pmax degrade as the fluence increases, respectively, but the degradation rates of Isc, Voc and Pmax decrease as the proton energy increases, and the degradation is relative to proton irradiation-induced defect Ec−0.41 eV in irradiated GaAs/Ge cells. 相似文献
14.
This paper reports the low-energy proton irradiation effects on GaAs/Ge solar cells for space use. The proton irradiation experiments were performed with a fluence of 1.2×1013 cm−2, energies ranging from 0.1 to 3.0 MeV. The results obtained demonstrate that the irradiation with a proton energy of 0.3 MeV gives rise to the most degradation rates of Isc, Voc and Pmax of the solar cells with no coverglass, which is related to the proton irradiation-induced vacancies near the pn junction in GaAs/Ge cells. The degradation rates of Isc, Voc and Pmax of the solar cells with coverglass increase as the proton energy increases due to the cascade ions induced by collision processes. It is found that the coverglass has an obvious protection effect against the irradiation with the proton energy below 0.5 MeV. 相似文献
15.
T. Kitatani Y. Yazawa S. Watahiki K. Tamura J. Minemura T. Warabisako 《Solar Energy Materials & Solar Cells》1998,50(1-4):221-227
We have developed an optimal growth procedure for gas-source MBE production of a GaInP/GaAs heterointerface. The interface quality is crucial to obtaining high-performance GaAs solar cells with a GaInP barrier layer because minority carrier lifetime depends strongly on the interface structure. In situ Reflective High-Energy Electron Diffraction (RHEED) observation during the growth across the GaInP/GaAs heterointerface revealed that the phosphorus atoms are replaced by arsenic atoms in the near-interface region of the GaInP layer, and a transient layer acting as a carrier trap is formed. Introduction of a GaP layer into the interface was found to be effective in suppressing carrier loss. From Composition Analysis by Thickness Fringe-Transmission Electron Microscopy (CAT-TEM) images, it was also found that the optimum thickness of inserted GaP to avoid the generation of misfit dislocations is 1 nm. 相似文献
16.
介绍了采用SAEJ1939汽车通信协议,应用CAN总线技术实现电控柴油机与ABS/ASR系统在整车上匹配的基本原理和方法。通过一个实例,验证了系统的标定、通信测试、模拟测试和车辆测试等匹配过程,并验证方法的正确性和实用性。 相似文献
17.
《International Journal of Hydrogen Energy》2021,46(65):32962-32973
Ab initio calculation and data mining are very useful methods to predict the interrelationships among structure properties. In this paper, the first-principles modelling based on the density functional theory (DFT) was used to explore the structural, mechanical, and electronic properties of ten hydrides REH2 (RE = La, Ce, Pr, Nd, Sm, Tb, Dy, Ho, Er, Tm). From the present work, it can be noted that LaH2, CeH2, NdH2, and PrH2 compounds crystallizing in the hydrogen-rich cubic phase present good mechanical properties which could be of use to future applications in hydrogen storage. Furthermore, the electronic structures were also evaluated to provide a deep insight regarding their trends and confirm the metallic character of these systems. While, HoH2, DyH2, ErH2, TbH2, TmH2, SmH2 hydrides are mainly hard and rigid systems with high values of the bulk modulus (B), shear modulus (G), Young's modulus (E), micro-hardness (H), and low values of B/G ratio. More significantly, the adopted principal component analysis (PCA) provided an advantageous technique in selecting and identifying the minimum of inputs variables necessary to capture all information of the systems. 相似文献
18.
The AC parameters of Gallium Arsenide (GaAs/Ge) solar cell were measured at different cell temperatures (198–348 K) by varying the cell bias voltage (forward and reverse) under dark condition using impedance spectroscopy technique. It was found that the cell capacitance increases with the cell temperature where as the cell resistance decreases, at any bias voltage. The measured cell parameters were used to calculate the intrinsic concentration of electron–hole pair, cell material relative permittivity and its band gap energy. The diode factor and the cell dynamic resistance at the corresponding maximum power point decrease with the cell temperature. 相似文献
19.
First-principles calculations of the energy dependent absorption coefficients are presented in this work in order to understand the optical properties of some materials characterized for an intermediate band (IB) with metallic behavior: Ga32P31Cr and Ga31P32Cr. The calculations are based on local spin density approximation and the pseudopotential method using a localized basis set. The resulting optical spectra is analyzed and broken down into the contributions of the different bands and spin components. The results of the electronic properties show that one of the spin components presents an IB, and the absorption coefficients indicate an increase in the absorption sub-gap as a consequence of the optical transitions between the valence and the IB. 相似文献
20.
AbstractThis review paper describes primarily recent theoretical calculations with some supporting experimental findings on titania nanotubes. Nanotubes with different types and sizes are discussed in detail in terms of existing theoretical and experimental achievements. Both classical and quantum mechanical simulations are focused on. The properties of these nanotubes have been treated within first principle density functional electronic structure simulation methods. In this paper, we pay particular attention to computational aspects, but when appropriate, relationships with experimental results on titania nanostructures will be mentioned. First, the structural properties of titania nanotubes are reviewed, focusing from experimental growth mechanism to possible theoretical stable structure and orientation. Second, the electronic structure of nanotubes is discussed in terms of band gap modifications of titania and photocatalytic efficiencies in photoelectrochemical devices. Finally, current computational limitations and future directions are described with respect to the performances of nanotube titania based photosensitive devices. 相似文献