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Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study
Thapa, Ranjit, Ghosh, Saurabh, Sinthika, S., Mathan Kumar, E., Park, Noejung
Published in Journal of alloys and compounds (25.01.2015)
Published in Journal of alloys and compounds (25.01.2015)
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Structural dependence of piezoelectric size effects and macroscopic polarization in ZnO nanowires: A first- principles study
Qin, Chuanqiong, Gu, Yousong, Sun, Xu, Wang, Xueqiang, Zhang, Yue
Published in Nano research (01.06.2015)
Published in Nano research (01.06.2015)
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First principles investigation of SiC/AlGaN(0001) band offset
Kojima, E., Endo, K., Shirakawa, H., Chokawa, K., Araidai, M., Ebihara, Y., Kanemura, T., Onda, S., Shiraishi, K.
Published in Journal of crystal growth (15.06.2017)
Published in Journal of crystal growth (15.06.2017)
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Strain sensitivity and superconducting properties of Nb3Sn from first principles calculations
De Marzi, G, Morici, L, Muzzi, L, della Corte, A, Buongiorno Nardelli, M
Published in Journal of physics. Condensed matter (03.04.2013)
Published in Journal of physics. Condensed matter (03.04.2013)
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Stabilization and electronic topological transition of hydrogen-rich metal Li 5 MoH 11 under high pressures from first-principles predictions
Tsuppayakorn-Aek, Prutthipong, Sukmas, Wiwittawin, Ahuja, Rajeev, Luo, Wei, Bovornratanaraks, Thiti
Published in Scientific reports (18.02.2021)
Published in Scientific reports (18.02.2021)
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The role of water at electrified metal-water interfaces unravelled from first principles
Darby, Matthew T., Cucinotta, Clotilde S.
Published in Current opinion in electrochemistry (01.12.2022)
Published in Current opinion in electrochemistry (01.12.2022)
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First-principles study of interstitial Li effects on the electronic, structural and diffusion properties of highly boron-doped porous silicon
González, I., Nava, R., Cruz-Irisson, M., del Río, J.A., Ornelas-Cruz, I., Pilo, J., Rubo, Y.G., Trejo, A., Tagüeña, J.
Published in Journal of energy storage (20.11.2024)
Published in Journal of energy storage (20.11.2024)
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First-principles molecular dynamics simulation study on Ti4+ ion in aqueous sulfuric acid
Choe, Yoong-Kee, Tsuchida, Eiji, Tokuda, Kazuya, Otsuka, Jun, Saito, Yoshihiro, Masuno, Atsunobu, Inoue, Hiroyuki
Published in AIP advances (01.03.2021)
Published in AIP advances (01.03.2021)
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First-principles study of Al2Sm intermetallic compound on structural, mechanical properties and electronic structure
Lin, Jingwu, Wang, Lei, Hu, Zhi, Li, Xiao, Yan, Hong
Published in Solid state communications (01.02.2017)
Published in Solid state communications (01.02.2017)
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Detailed subject-specific FE rib modeling for fracture prediction
Iraeus, Johan, Lundin, Linus, Storm, Simon, Agnew, Amanda, Kang, Yun-Seok, Kemper, Andrew, Albert, Devon, Holcombe, Sven, Pipkorn, Bengt
Published in Traffic injury prevention (25.11.2019)
Published in Traffic injury prevention (25.11.2019)
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