Surface crystal-orientation-dependent second-order nonlinear optical properties of cubic boron arsenide (c-BAs) by Lipeng Zhu, Yachao Ma, Chuyi Zhou, Tanwen Lai, Aochi Jia, Yipeng Zheng, Kaili Ren, Dongdong Han, Jun Dong, Ze Xue, Yani Ren, Qiyi Zhao, Chuan He, Jiming Zheng

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High-pressure structural and electrical properties of pyrochlore: Enhanced octahedral distortions and electrical resistance of La2Sn2O7 by Shufan Jia, H. Saqib, Daniel Errandonea, Yuxin Hu, Bin Zeng, Xiangyu Chen, Alfonso Munoz, Silvana Radescu, Andres Mujica, Yongsheng Zhao, S. Rahman, Ning Dai

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First-principles investigation of adhesion strength and interfacial bonding in Mg/X (X = Ti, Zr, Hf, V, Nd, Cr, Mo, Mn, and Fe) interface by Longke Bao, Zhifu Yao, Yuhui Zhang, Cuiping Wang, Kaihong Zheng, Rongpei Shi, Xingjun Liu, Fusheng Pan

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First Principle Study of Structural, Electronic, Optical, and Thermodynamic Properties of Scandium-Doped Zirconia Zr1−xScxO2,x=0.125 by Lemessa Asefa Eressa, Zeleke Deressa Gerbi

“…The effect of scandium doping on the structural, electronic, optical, and thermodynamic properties of scandium-doped zirconia (Zr0.875Sc0.125 O1.9375) was investigated by first-principles calculations. The results of electronic property calculation show that the incorporation of scandium (Sc3+) in ZrO2 has reduced its bandgap due to the formation of scandium 3d states in the conduction band. …”
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Promoted Formation of Photoactive α-Formamidinium Cesium Lead Triiodide Perovskite Crystals by Germanium Addition by Ayu Enomoto, Atsushi Suzuki, Takeo Oku, Haruto Shimada

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The prediction of X2B6 monolayers with ultrahigh carrier mobility by Xiuzhi Du, Zhaoming Huang

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Thermodynamic assessment of the Pb-Sr system by Zhang H., Zhang C., Wang W.W., Du Y., Zhou P., Hu B., Liu Z., Wang J.C., Wang J.

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Two-Dimensional Ferroelectric Materials: From Prediction to Applications by Shujuan Jiang, Yongwei Wang, Guangping Zheng

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First-principles study of the matrix alloying effect of X (X = Cr, Mo, W, V, Ti, Si) on the bonding characteristics and mechanical properties of the NbC/Fe interface by Yutong Yu, Lisheng Zhong, Enci Han, Ke Shi, Kaiyuan Hu, Chengwen Zhang, Yunhua Xu, Jianhong Peng, Xu Hu

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Effect of alloying elements on the stacking fault energies of dilute al-based alloys by Gao Q., Zhang H., Yang R., Fan Z., Liu Y., Wang J., Geng X., Gao Y., Shang S., Du Y., Liu Z.

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Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems by Cao Z., Xin J., Chen C., Liu S., Hu B., Tang C., Du Y.

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A comprehensive study on the electronic, optical, and light harvesting examination of mixed cation 2-Br-PEAI/FAPbI3 perovskite solar cells through first principles calculations and numerical simulations by Mohammed Benali Kanoun, Adil Alshoaibi, Mousaab Belarbi, Souraya Goumri-Said

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The Effect of Gradient Cooling Behavior on the Microstructure and Mechanical Properties of Al-2at.% Nd Alloy in a Vacuum Environment by Xiangjie Wang, Xinyu Zhang, Wenjie Wu, Shuchen Sun

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Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

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Giant phonon anomaly in topological nodal-line semimetals by Zizhen Zhou, Xiaolong Yang, Honghui Wang, Guang Han, Xu Lu, Guoyu Wang, Rui Wang, Xiaoyuan Zhou

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İLK İLKELERİN KAYNAĞI NEDİR? İKİNCİ ANALİTİKLER 2. 19 ÇEVİRİSİNDE BİR İNCELEME by Hakan, Hasan Çoşar, Akkanat

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Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems by Hao D., Bu M., Wang Y., Tang Y., Gao Q., Wang M., Hu B., Du Y.

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Atomic-scale understanding of the effects of Cr and Ti on γ′ growth kinetics in the Ni–Al-X ternary system: Diffusion couple technique and DFT study by Xinyu Gao, Yuan Tian, Xin Wen, Shichang Qiao, Fengzhen Wang, Na Li, Zhikang Xia, Yongqianag Wang, Shuai Liu, Chao Yuan

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Hf-induced strengthening and lattice distortion in HfxNbTaTiV refractory multi-principal element alloys by Yingwu Wang, Kai Xiong, Wei Li, Chengchen Jin, Haijun Wu, Hua Dai, Zihang Yang, Hongmo Yang, Shunmeng Zhang

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Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the First Principle Study by Mohammad Jahidul Islam, Md. Sabbir Hasan Sohag, Unesco Chakma, Ajoy Kumer, Md. Monsur Alam, Mohammed Nazrul Islam Khan

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