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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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Structural and Electronic Features of β‑Ni(OH)2 and β‑NiOOH from First Principles
Tkalych, Alexander J, Yu, Kuang, Carter, Emily A
Published in Journal of physical chemistry. C (29.10.2015)
Published in Journal of physical chemistry. C (29.10.2015)
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Vibrational spectroscopy by means of first‐principles molecular dynamics simulations
Ditler, Edward, Luber, Sandra
Published in Wiley interdisciplinary reviews. Computational molecular science (01.09.2022)
Published in Wiley interdisciplinary reviews. Computational molecular science (01.09.2022)
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Olivine‐Type MgMn0.5Zn0.5SiO4 Cathode for Mg‐Batteries: Experimental Studies and First Principles Calculations
Pérez‐Vicente, Carlos, Rubio, Saúl, Ruiz, Rafaela, Zuo, Wenhua, Liang, Ziteng, Yang, Yong, Ortiz, Gregorio F.
Published in Small (Weinheim an der Bergstrasse, Germany) (22.03.2023)
Published in Small (Weinheim an der Bergstrasse, Germany) (22.03.2023)
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Electrochemistry from first-principles in the grand canonical ensemble
Bhandari, Arihant, Peng, Chao, Dziedzic, Jacek, Anton, Lucian, Owen, John R., Kramer, Denis, Skylaris, Chris-Kriton
Published in The Journal of chemical physics (14.07.2021)
Published in The Journal of chemical physics (14.07.2021)
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Photoelectric properties of monolayer WS2-MoS2 lateral heterojunction from first principles
Liu, Ping-Ping, Shao, Zhi-Gang, Luo, Wen-Ming, Li, Han-Bing, Yang, Mou
Published in Physics letters. A (30.12.2021)
Published in Physics letters. A (30.12.2021)
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