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机译:从头算计算铝掺杂锐钛矿和金红石型TiO_2的电子和光学性质
Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA, United Kingdom;
Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA, United Kingdom;
Smith School for Enterprise and the Environment, University of Oxford, Hayes House, 75 George Street, Oxford OX1 2BQ, United Kingdom;
semiconductor compounds; optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity);
机译:铬氮共掺杂对锐钛矿型TiO_2电子和光学性质的从头算计算
机译:锐钛矿和金红石型二氧化钛的光学性质:纯和阴离子掺杂材料的从头算计算
机译:氧非化学计量及掺杂2p,3p,6p和3d元素对金红石和锐钛矿型电子结构,光学性质和光催化活性的影响:从头算方法
机译:通过RF磁控溅射在室温下生长的TiO_2薄膜的锐钛矿,金红石和无定形阶段的光学性质
机译:多壁碳纳米管-环氧树脂复合材料的微波吸收研究以及磷化硼(bp)的电子,输运和结构性质的从头算
机译:从头算算起具有可调电子和光学性质的稳定的GaSe样碳化钨单层
机译:金红石和锐钛矿中电子-声子相互作用和大极化子特性的从头算