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Compact modeling of highly excited linear aggregates using generalized quantum particles 利用广义量子粒子建立高激发线性聚集体的紧凑模型
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-09-03 DOI: 10.1016/j.chemphys.2024.112445
Vytautas Bubilaitis, Darius Abramavicius

Calculation of nonlinear spectra of chromophore aggregates using response function theory when the number of contributing chromophores is large, and the level of excitation is high is extremely complicated. The main limitation is due to the exponential growth of computational time due to the aggregate size and number of excitations when considering an arbitrary excitation intensity. Non-perturbative calculation of spectra in this case becomes advantageous. We revisit our proposed model with exciton - exciton annihilation terms and apply it to large aggregates. We generalize the equations for both paulions and bosons with a parameter that allows smooth transition from one description to another. Intermediate statistics may also be valuable as molecular electronic excitations do not strictly obey either boson or paulion statistics. Specific approximations allow efficient calculation of pump-probe spectra for a large J aggregate.

利用响应函数理论计算发色团聚集体的非线性光谱极其复杂,因为发色团数量多,激发水平高。其主要局限性在于,当考虑任意激发强度时,计算时间会因聚集体大小和激发次数而呈指数增长。在这种情况下,光谱的非微扰计算变得非常有利。我们重新审视了我们提出的带有激子-激子湮灭项的模型,并将其应用于大型聚合体。我们用一个参数概括了保尔子和玻色子的方程,该参数允许从一种描述平滑过渡到另一种描述。由于分子电子激发并不严格遵守玻色子或保利子统计,因此中间统计也很有价值。通过特定的近似方法,可以高效地计算大 J 集合的泵探光谱。
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引用次数: 0
Molecular study of an improved Wei energy potential for the halogens and gallium halides 卤素和卤化镓的改进魏能势的分子研究
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-09-02 DOI: 10.1016/j.chemphys.2024.112440
C.A. Onate , I.B. Okon , U.E. Vincent , E. Omugbe , E.S. Eyube , J.P. Araujo

An improved Wei potential energy function as a molecular potential model has not been widely reported probably due to its physical structure. In this study, the Feinberg–Horodecki (FH) equation is examined for the improved Wei energy potential function. To validate the calculations, the Feinberg–Horodecki equation is transformed into an energy equation by putting c=1, and Pn=En. Numerical results are generated for some molecules using the energy equation and the molecular spectroscopic constants for λ=-0.1,0, and 0.1. The predicted results for the energy eigenvalues are compared with the experimental data for four halogen molecules and four gallium halides. The results revealed that the negative values of λ do not produce values that align with the experimental data. It is also shown that the result obtained with λ=0 reproduces a better result for the improved Wei potential energy function than the result obtained with λ=0.1.

可能由于其物理结构的原因,作为分子势能模型的改进魏势能函数尚未被广泛报道。在本研究中,对改进的 Wei 势能函数的 Feinberg-Horodecki (FH) 方程进行了研究。为了验证计算结果,将 c=1 和 Pn=En 将费恩伯格-霍罗德茨基方程转化为能量方程。利用能量方程和 λ=-0.1,0 和 0.1 时的分子光谱常数,为一些分子生成了数值结果。能量特征值的预测结果与四种卤素分子和四种卤化镓的实验数据进行了比较。结果显示,λ 的负值产生的值与实验数据不一致。结果还表明,与 λ=0.1 时的结果相比,λ=0 时的结果能更好地再现改进的魏势能函数。
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引用次数: 0
First-Principles insights to probe structural and opto-electronic properties of AgYF3 (Y=Mg, Sr) halide perovskites with variety of DFT methods 用多种 DFT 方法探究 AgYF3(Y=镁、锶)卤化物包晶的结构和光电特性的第一性原理见解
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-30 DOI: 10.1016/j.chemphys.2024.112443
Rida Fatima , A. Afaq , Muhammad Ahmed , Abdul Quader , Abu Bakar , Abdulmohsen Alruwaili

This study reports the structural, electronic, optical, phonon, thermodynamic and thermoelectric properties of AgYF3 (X=Mg, Sr) for photovoltaic and energy applications. We performed first principles calculations using full potential linearized augmented plane wave, FP-LAPW method implemented in Wien2k. The generalized gradient approximations of Perdew–Burke–Ernzerhof PBE-GGA, and PBE revised for solids, PBEsol, is employed for structural optimization of these lead free halide perovskites. The Birch–Murnaghan energy volume curve fitting comprehend the structural stability. The optimized lattice constant of AgMgF3 and AgSrF3 obtained with PBE-GGA(PBEsol) is 3.99(3.92) Å and 4.42(4.65) Å. The stability is further tested with the help of formation energy and positive phonon dispersion curves calculations. For the calculations of explicit electronic and optical properties, we also employed Tran–Blaha modified Beck–Johnson (TB-mBJ) and Strongly Constrained but Appropriately Normed, SCAN, exchange and correlations functionals. The electronic band gap of AgMgF3 computed with PBEsol, TB-mBJ and SCAN is 1.96 eV, 5.25 eV and 2.59 eV exhibiting M-Γ indirect band gap. The band gap energy of AgSrF3 is 2.06 eV, 6.42 eV and 2.70 eV with PBEsol, TB-mBJ and SCAN. The indirect band gap nature of AgSrF3 is confirmed by PBEsol and TB-mBJ while it anticipated direct band gap behavior with meta-GGA SCAN. The different optical parameters like dielectric constant, optical conductivity, energy loss function, absorption, reflectivity and refractive index are calculated to assess optical activity of both perovskites. Comprehensive electronic and optical analysis advocates the utility of AgMgF3 and AgSrF3 for different applications is solar technology and optoelectronic devices.

本研究报告了用于光伏和能源应用的 AgYF3(X=Mg、Sr)的结构、电子、光学、声子、热力学和热电特性。我们使用 Wien2k 中的全电势线性化增强平面波 FP-LAPW 方法进行了第一性原理计算。在对这些无铅卤化物包晶进行结构优化时,我们采用了 Perdew-Burke-Ernzerhof PBE-GGA 广义梯度近似法和针对固体的 PBE 修订版 PBEsol。Birch-Murnaghan 能量体积曲线拟合理解了结构的稳定性。利用 PBE-GGA(PBEsol)得到的 AgMgF3 和 AgSrF3 的优化晶格常数分别为 3.99(3.92) Å 和 4.42(4.65) Å。为了计算明确的电子和光学性质,我们还采用了 Tran-Blaha modified Beck-Johnson (TB-mBJ) 和 Strongly Constrained but Appriately Normed (SCAN)、交换和相关函数。用 PBEsol、TB-mBJ 和 SCAN 计算出的 AgMgF3 电子带隙分别为 1.96 eV、5.25 eV 和 2.59 eV,显示出 M-Γ 间接带隙。使用 PBEsol、TB-mBJ 和 SCAN 时,AgSrF3 的带隙能分别为 2.06 eV、6.42 eV 和 2.70 eV。PBEsol 和 TB-mBJ 证实了 AgSrF3 的间接带隙性质,而 meta-GGA SCAN 则预测了其直接带隙行为。计算了不同的光学参数,如介电常数、光导率、能量损失函数、吸收率、反射率和折射率,以评估这两种包晶的光学活性。全面的电子和光学分析证明了 AgMgF3 和 AgSrF3 在太阳能技术和光电设备等不同应用领域的实用性。
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引用次数: 0
Electrochemical sodium storage properties in monolayer VOPO4: A density functional theory prediction 单层 VOPO4 的电化学钠储存特性:密度泛函理论预测
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-30 DOI: 10.1016/j.chemphys.2024.112442
Jinggao Wu , Cuirong Deng , Chanyu Zhong , Jing Huang

The unique structural properties of two-dimensional materials make them promising for energy storage applications. This work theoretically predicts for the first time that Monolayer VOPO4 (MNL VOPO4), exfoliated from the delithiated phase of tetragonal LiVOPO4, is stable at room temperature, exhibiting excellent thermodynamic and kinetic stability, thus making it a promising high-capacity anode material for sodium-ion batteries (SIBs). Compared to bulk VOPO4, the monolayer structure significantly reduces the sodium ion migration energy barrier from 1.006 to 0.0795 eV, thereby markedly enhancing sodium ion migration kinetics. MNL VOPO4 can adsorb up to 32 sodium ions, corresponding to a theoretical capacity of 634.88 mA h g−1 and an energy density of 895.18 Wh kg−1. Furthermore, the excellent structural stability of MNL VOPO4 favors its cycling performance during charge and discharge processes. This work provides theoretical insights for better utilizing and developing multi-atomic phosphate compounds as electrode materials for secondary batteries.

二维材料的独特结构特性使其在储能应用中大有可为。这项研究首次从理论上预测了单层 VOPO4(MNL VOPO4)在室温下的稳定性,它是从四方 LiVOPO4 的二锂化相中剥离出来的,表现出优异的热力学和动力学稳定性,从而使其成为钠离子电池(SIB)的一种前景广阔的高容量负极材料。与块状 VOPO4 相比,单层结构大大降低了钠离子迁移能垒,从 1.006 降至 0.0795 eV,从而显著提高了钠离子迁移动力学。MNL VOPO4 最多可吸附 32 个钠离子,理论容量为 634.88 mA h g-1,能量密度为 895.18 Wh kg-1。此外,MNL VOPO4 极佳的结构稳定性有利于其在充放电过程中的循环性能。这项研究为更好地利用和开发多原子磷酸化合物作为二次电池的电极材料提供了理论依据。
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引用次数: 0
Computational investigation of electronic, thermoelectric, and optical properties in Cs2LiBiX6(X = Br, I) for energy harvesting applications 面向能量收集应用的 Cs2LiBiX6(X = Br,I)电子、热电和光学特性的计算研究
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-29 DOI: 10.1016/j.chemphys.2024.112437
Qaiser Rafiq , Sikander Azam , Muhammad Jawad , Faisal Nazeer , Islam H. El Azab , Gaber A.M. Mersal

The remarkable potential of double perovskite materials, characterized by lead-free, non-toxic attributes and robust dynamical stability, positions them as highly promising candidates for both thermoelectric and optoelectronic applications. In light of this, a comprehensive investigation is undertaken through density functional theory to thoroughly explore the optoelectronic and transport characteristics of Cs2LiBiX6 (X = Br, I) double perovskite materials. To ascertain dynamic stability, phonon dispersion band structures are computed, and the structural stability is evaluated through the tolerance factor. The resulting band structures reveal narrow band gaps of 3.45 eV and 1.79 eV for the Br and Indium-based DPs, respectively. These narrow band gaps hold significant importance for applications such as ultraviolet detectors and other optoelectronic devices that function in the visible and UV-light spectrum. Notably, absorption peaks of maximal intensity emerge at 5.1 eV (76 nm) and 4.0 eV (67 nm) for the Br and Indium-based double perovskites, respectively. Furthermore, a comprehensive analysis of thermoelectric behavior is conducted, encompassing the figure of merit, power factor, Seebeck coefficient, and the ratio of electrical to thermal conductivity across a temperature range of 50–800 K. The exceptionally low lattice vibration values, coupled with a substantial enhancement in the thermoelectric figure of merit (ZT), notably underscore their significance for advanced thermoelectric generator applications.

双包晶材料具有无铅、无毒和动态稳定性强的特点,其巨大的潜力使其成为热电和光电应用领域极具潜力的候选材料。有鉴于此,我们通过密度泛函理论对 Cs2LiBiX6(X = Br,I)双包晶材料的光电和传输特性进行了全面研究。为了确定动态稳定性,计算了声子色散带结构,并通过容限因子评估了结构稳定性。计算得出的带状结构显示,溴基和铟基 DP 的窄带隙分别为 3.45 eV 和 1.79 eV。这些窄带隙对于紫外线探测器和其他在可见光和紫外线光谱下工作的光电器件等应用具有重要意义。值得注意的是,硼基和铟基双包晶石的最大吸收峰分别出现在 5.1 eV(76 纳米)和 4.0 eV(67 纳米)处。此外,还对热电行为进行了全面分析,包括优点系数、功率因数、塞贝克系数以及 50-800 K 温度范围内的电导率与热导率之比。异常低的晶格振动值以及热电优点系数(ZT)的大幅提高,显著强调了它们对先进热电发生器应用的重要意义。
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引用次数: 0
Investigation of optical properties of Ce and Eu-doped Gd2SiO5 insights from GGA + U calculations 通过 GGA + U 计算探究掺杂 Ce 和 Eu 的 Gd2SiO5 的光学特性
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-28 DOI: 10.1016/j.chemphys.2024.112427
Muhammad Ahsan Ali Abbas , Sikandar Azam , Waqas Ahmad , Maryam Naeem , Qaiser Rafiq , Mohammad Gousuddin , Dalal A. Alshammari , Islam H. El Azab

Gadolinium silicate, (Gd2SiO5) co-doped with Ce and Eu has been found to exhibit enhanced luminescence efficiency, which makes it a promising material for use in scintillators and phosphors. It has excellent scintillation properties such as high density and high Zeff. In this study, we used density functional theory (DFT) calculations within the Wien2k software to investigate the effect of Ce and Eu concentration and native defects on the electronic structure and optical properties of Ce and Eu co-doped Gd2SiO5. We utilized the DFT + U method to treat the localized 4f electrons of Ce and Eu. Our results indicate that the electronic structure and optical properties of Ce and Eu co-doped Gd2SiO5 are significantly affected by the concentration of the dopants and presence of native defects. We found that increasing the concentration of Ce and Eu dopants leads to a shift in the bandgap to lower energies, resulting in enhanced absorption and emission spectra. Moreover, our calculations reveal that presence of oxygen vacancies and Gd interstitials can induce new defect levels in the bandgap, which may affect the luminescence properties of the material. Our study provides valuable insights into the atomic-level mechanisms that govern the luminescence properties of Ce and Eu co-doped Gd2SiO5 which can aid in the design and optimization of luminescent materials for various applications.

研究发现,与 Ce 和 Eu 共掺的硅酸钆(Gd2SiO5)具有更高的发光效率,这使其成为一种有望用于闪烁体和荧光粉的材料。它具有高密度和高 Zeff 等优异的闪烁特性。在本研究中,我们利用 Wien2k 软件中的密度泛函理论(DFT)计算,研究了 Ce 和 Eu 浓度以及原生缺陷对 Ce 和 Eu 共掺杂 Gd2SiO5 的电子结构和光学特性的影响。我们利用 DFT + U 方法处理了 Ce 和 Eu 的局域 4f 电子。结果表明,掺杂 Ce 和 Eu 的 Gd2SiO5 的电子结构和光学性质受到掺杂剂浓度和原生缺陷存在的显著影响。我们发现,掺杂 Ce 和 Eu 的浓度增加会导致带隙向低能量方向移动,从而增强吸收和发射光谱。此外,我们的计算还发现,氧空位和钆间隙的存在会在带隙中诱发新的缺陷水平,从而影响材料的发光特性。我们的研究为了解支配掺杂 Ce 和 Eu 的 Gd2SiO5 发光特性的原子级机制提供了宝贵的见解,有助于设计和优化各种应用的发光材料。
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引用次数: 0
Effect of electron-donating and -withdrawing substitutions in naphthoquinone sensitizers: The structure engineering of dyes for DSSCs in Quantum Chemical Study 萘醌敏化剂中电子捐赠和抽取取代的影响:量子化学研究中的 DSSC 染料结构工程
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-27 DOI: 10.1016/j.chemphys.2024.112439
Seçil Sarı , Nihat Karakuş

Dye-sensitized solar cells (DSSCs) are cost-effective photovoltaic devices that convert solar energy into electricity using a dye sensitizer, TiO2 photoanode, electrolyte, and counter electrode. This study investigates the impact of substituents on the performance of naphthoquinone-based dye sensitizers in DSSCs. We analyzed various naphthoquinone derivatives’ electronic structures and light absorption properties using DFT and TD-DFT. Our results demonstrate that electron-donating groups enhance DSSC performance by improving light absorption and electron injection. Specifically, naphthoquinone derivatives with methoxy (Dye-2) and methyl (Dye-3) groups showed superior properties. TD-DFT analysis revealed high molar extinction coefficients over a broad spectrum, making these dyes efficient at capturing sunlight. Additionally, these dyes effectively interact with TiO2, which is crucial for photostability and photovoltaic performance. In conclusion, naphthoquinone derivatives with electron-donating groups significantly improve DSSC performance, with Dye-2 and Dye-3 being strong candidates for high-performance applications.

染料敏化太阳能电池(DSSC)是一种具有成本效益的光伏设备,它利用染料敏化剂、TiO2 光阳极、电解质和反电极将太阳能转化为电能。本研究探讨了取代基对 DSSC 中基于萘醌的染料敏化剂性能的影响。我们使用 DFT 和 TD-DFT 分析了各种萘醌衍生物的电子结构和光吸收特性。我们的研究结果表明,电子供体基团可通过改善光吸收和电子注入来提高 DSSC 的性能。具体来说,带有甲氧基(Dye-2)和甲基(Dye-3)基团的萘醌衍生物表现出更优越的性能。TD-DFT 分析表明,这些染料在宽光谱范围内具有较高的摩尔消光系数,因此能有效捕捉阳光。此外,这些染料还能有效地与二氧化钛相互作用,这对于光稳定性和光伏性能至关重要。总之,带有电子捐赠基团的萘醌衍生物能显著提高 DSSC 性能,其中染料-2 和染料-3 是高性能应用的有力候选者。
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引用次数: 0
Preparation of highly hydrophilic cesium ion sieve and its performance in adsorbing Cs+ 高亲水性铯离子筛的制备及其吸附 Cs+ 的性能
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-24 DOI: 10.1016/j.chemphys.2024.112438
Xue Yang, Mengyu Lin, Jiumei Chu, Dianquan Dong

The unique properties of cesium compounds have garnered increasing attention, among which Cs2Ti6O13 shows great potential for applications. This paper synthesized Cs2Ti6O13(CTO-3) using a template-assisted solvothermal method with cesium carbonate as the cesium source and tetrabutyl titanate as the titanium source. Among them, F127 and hexadecylamine are used as template agents to modulate the surface morphology and hydrophilicity of the precursor. The cesium ion sieve H2Ti6O13 (HTO-3) synthesized after hydrochloric acid pickling has a large specific surface area and good hydrophilicity. This structure is conducive to the ion exchange between Cs+ and H+, resulting in a fast adsorption rate. It is completed within 2 h, and the adsorption capacity reaches 360 mg/g, which is significantly greater than that of the traditional high-temperature solid-phase method. The adsorption process of Cs+ on HTO-3 is more consistent with the pseudo-second-order kinetic equation model, and the adsorption process is chemical adsorption. HTO-3 exhibited good selectivity and cycle stability. At the fifth time of the adsorption-resolution cycle, the adsorption capacity was 87.1 % of the first time.

铯化合物的独特性质日益受到关注,其中 Cs2Ti6O13 显示出巨大的应用潜力。本文以碳酸铯为铯源,钛酸四丁酯为钛源,采用模板辅助溶热法合成了 Cs2Ti6O13(CTO-3)。其中,F127 和十六烷基胺被用作模板剂来调节前驱体的表面形貌和亲水性。盐酸酸洗后合成的铯离子筛 H2Ti6O13(HTO-3)具有较大的比表面积和良好的亲水性。这种结构有利于 Cs+ 和 H+ 之间的离子交换,因此吸附速度很快。2 h 内即可完成,吸附容量达到 360 mg/g,明显高于传统的高温固相法。HTO-3 对 Cs+ 的吸附过程更符合伪二阶动力学方程模型,吸附过程为化学吸附。HTO-3 具有良好的选择性和循环稳定性。在第五次吸附-解吸循环时,吸附容量为第一次的 87.1%。
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引用次数: 0
Corrigendum to “Study of Fe-doped and glucose-capped CeO2 nanoparticles synthesized by co-precipitation method” [Chem. Phys. 561 (2022) 111617] 共沉淀法合成的掺铁和葡萄糖封接 CeO2 纳米粒子的研究》[Chem. Phys.
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-22 DOI: 10.1016/j.chemphys.2024.112436
Paulos Taddesse , D. Parajuli , N. Murali
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引用次数: 0
Exploring the low-index surfaces of D52-La2O3 from the first-principles calculations 从第一原理计算探索 D52-La2O3 的低指数表面
IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-21 DOI: 10.1016/j.chemphys.2024.112418
H.F. Sun, S.P. Sun, Y.R. Wang, Y. Zhang

The surface relaxations, surface stability, electronic structures, and equilibrium morphology of D52-La2O3 were analyzed by means of first-principles calculations. The stoichiometric surfaces of D52-La2O3 possess thermodynamic energies of the following order: (0 0 1) < (1 1 0) < (1 0 0). Changes in temperature and the partial pressure of oxygen were employed to determine the energy of the non-stoichiometric surfaces. The results indicated that the energies of the (ns-1La1O)-terminated (1 0 0) and (ns-1La)-terminated (0 0 1) surfaces increased with increasing oxygen partial pressures and decreased with temperatures, whereas the (ns-1O)-terminated (0 0 1) and (ns-1O)-terminated (1 0 0) surfaces exhibited the reverse rule. According to the calculated density of states, surface relaxations primarily impact the surface electronic structures. The Gibbs-Wulff model was used to forecast the equilibrium morphology of D52-La2O3, which followed in comparison with other’s experimental findings.

通过第一原理计算分析了 D52-La2O3 的表面弛豫、表面稳定性、电子结构和平衡形态。D52-La2O3 的化学计量表面具有以下顺序的热力学能量:(0 0 1)< (1 1 0)< (1 0 0)。利用温度和氧分压的变化来确定非化学计量表面的能量。结果表明,(ns-1La1O)封端(1 0 0)和(ns-1La)封端(0 0 1)表面的能量随氧分压的增加而增加,随温度的升高而降低,而(ns-1O)封端(0 0 1)和(ns-1O)封端(1 0 0)表面则表现出相反的规律。根据计算的状态密度,表面弛豫主要影响表面电子结构。利用 Gibbs-Wulff 模型预测了 D52-La2O3 的平衡形态,并与其他实验结果进行了比较。
{"title":"Exploring the low-index surfaces of D52-La2O3 from the first-principles calculations","authors":"H.F. Sun,&nbsp;S.P. Sun,&nbsp;Y.R. Wang,&nbsp;Y. Zhang","doi":"10.1016/j.chemphys.2024.112418","DOIUrl":"10.1016/j.chemphys.2024.112418","url":null,"abstract":"<div><p>The surface relaxations, surface stability, electronic structures, and equilibrium morphology of D5<sub>2</sub>-La<sub>2</sub>O<sub>3</sub> were analyzed by means of first-principles calculations. The stoichiometric surfaces of D5<sub>2</sub>-La<sub>2</sub>O<sub>3</sub> possess thermodynamic energies of the following order: (0<!--> <!-->0<!--> <!-->1) &lt; (1<!--> <!-->1<!--> <!-->0) &lt; (1<!--> <!-->0<!--> <!-->0). Changes in temperature and the partial pressure of oxygen were employed to determine the energy of the non-stoichiometric surfaces. The results indicated that the energies of the (ns-1La1O)-terminated (1<!--> <!-->0<!--> <!-->0) and (ns-1La)-terminated (0<!--> <!-->0<!--> <!-->1) surfaces increased with increasing oxygen partial pressures and decreased with temperatures, whereas the (ns-1O)-terminated (0<!--> <!-->0<!--> <!-->1) and (ns-1O)-terminated (1<!--> <!-->0<!--> <!-->0) surfaces exhibited the reverse rule. According to the calculated density of states, surface relaxations primarily impact the surface electronic structures. The Gibbs-Wulff model was used to forecast the equilibrium morphology of D5<sub>2</sub>-La<sub>2</sub>O<sub>3</sub>, which followed in comparison with other’s experimental findings.</p></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"587 ","pages":"Article 112418"},"PeriodicalIF":2.0,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142117383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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