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Corrosion behavior and thermos-physical properties of a promising Yb2O3 and Y2O3 co-stabilized ZrO2 ceramic for thermal barrier coatings subject to calcium-magnesium-aluminum-silicate (CMAS) deposition: Experiments and first-principles calculation
Fang, Huanjie, Wang, Weize, Huang, Jibo, Li, Yuanjun, Ye, Dongdong
Published in Corrosion science (15.04.2021)
Published in Corrosion science (15.04.2021)
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Strain sensitivity and superconducting properties of Nb3Sn from first principles calculations
De Marzi, Gianluca, Morici, Luigi, Muzzi, Luigi, Antonio della Corte, Marco Buongiorno Nardelli
Published in arXiv.org (13.10.2012)
Published in arXiv.org (13.10.2012)
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First-principles calculations of structural and elastic properties of hexagonal Cu2In intermetallic compound
Hsien-Chie Cheng, Ching-Feng Yu, Wen-Hwa Chen
Published in 2012 7th International Microsystems, Packaging, Assembly and Circuits Technology Conference (IMPACT) (01.10.2012)
Published in 2012 7th International Microsystems, Packaging, Assembly and Circuits Technology Conference (IMPACT) (01.10.2012)
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First-principle calculations of the electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine [(NH4)2(DNAT)]
Lei, Si-Jia, Liu, Qi-Jun, Liu, Fu-Sheng, Liu, Zheng-Tang, Yuan, Wen-Shuo
Published in Journal of molecular modeling (01.09.2024)
Published in Journal of molecular modeling (01.09.2024)
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Kinetic investigation of hydrogen diffusion and trapping in non-metallic inclusions/iron phase interfaces: A first-principles calculation
Ning, Yuanxing, Wang, Yan, Yang, Peixun, Li, Yuxing, Liu, Cuiwei, Wang, Cailin
Published in International journal of hydrogen energy (09.09.2025)
Published in International journal of hydrogen energy (09.09.2025)
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Discovery of Superconductivity in 2M WS2 with Possible Topological Surface States
Fang, Yuqiang, Pan, Jie, Zhang, Dongqin, Wang, Dong, Hirose, Hishiro T., Terashima, Taichi, Uji, Shinya, Yuan, Yonghao, Li, Wei, Tian, Zhen, Xue, Jiamin, Ma, Yonghui, Zhao, Wei, Xue, Qikun, Mu, Gang, Zhang, Haijun, Huang, Fuqiang
Published in Advanced materials (Weinheim) (01.07.2019)
Published in Advanced materials (Weinheim) (01.07.2019)
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First-principle calculations of magnetic properties of Ho6(Fe, Mn)Bi2 compounds
Garcia-Adeva, Angel J., Apiñaniz, Estibaliz, Herrero, Aritz, Aseguinolaza, Ivan R., Oleaga, Alberto
Published in Rare metals (01.11.2024)
Published in Rare metals (01.11.2024)
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Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface
Wang, Yang, Sun, Huijuan, Tan, Shijing, Feng, Hao, Cheng, Zhengwang, Zhao, Jin, Zhao, Aidi, Wang, Bing, Luo, Yi, Yang, Jinlong, Hou, J. G.
Published in Nature communications (30.07.2013)
Published in Nature communications (30.07.2013)
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First-principle calculations of the electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine (NH4)2(DNAT)
Lei, Si-Jia, Liu, Qi-Jun, Liu, Fu-Sheng, Liu, Zheng-Tang, Yuan, Wen-Shuo
Published in Journal of molecular modeling (09.08.2024)
Published in Journal of molecular modeling (09.08.2024)
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Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties
Neme, Natália, Jansen, Thomas L. C, Havenith, Remco W. A
Published in Physical chemistry chemical physics : PCCP (14.02.2024)
Published in Physical chemistry chemical physics : PCCP (14.02.2024)
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Defect induced, layer-modulated magnetism in ultrathin metallic PtSe2
Avsar, Ahmet, Ciarrocchi, Alberto, Pizzochero, Michele, Unuchek, Dmitrii, Yazyev, Oleg V., Kis, Andras
Published in Nature nanotechnology (01.07.2019)
Published in Nature nanotechnology (01.07.2019)
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What is the thermal conductivity limit of silicon germanium alloys?
Lee, Yongjin, Pak, Alexander J, Hwang, Gyeong S
Published in Physical chemistry chemical physics : PCCP (20.07.2016)
Published in Physical chemistry chemical physics : PCCP (20.07.2016)
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Understanding of binding energy calibration in XPS of lanthanum oxide by in situ treatment
Li, Jerry Pui Ho, Zhou, Xiaohong, Pang, Yaoqi, Zhu, Liang, Vovk, Evgeny I., Cong, Linna, van Bavel, Alexander P., Li, Shenggang, Yang, Yong
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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A New Core/Shell NiAu/Au Nanoparticle Catalyst with Pt-like Activity for Hydrogen Evolution Reaction
Lv, Haifeng, Xi, Zheng, Chen, Zhengzheng, Guo, Shaojun, Yu, Yongsheng, Zhu, Wenlei, Li, Qing, Zhang, Xu, Pan, Mu, Lu, Gang, Mu, Shichun, Sun, Shouheng
Published in Journal of the American Chemical Society (13.05.2015)
Published in Journal of the American Chemical Society (13.05.2015)
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Phonon Transport Simulator (PhonTS)
Chernatynskiy, Aleksandr, Phillpot, Simon R.
Published in Computer physics communications (01.07.2015)
Published in Computer physics communications (01.07.2015)
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