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机译:从分子结构多尺度计算有机基器件的电学性质
Key Lab of Organic Optoelectronics & Molecular Engineering of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, China,Solar & Photovoltaics Engineering Research Center, Division of Physical Science and Engineering, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia;
Key Lab of Organic Optoelectronics & Molecular Engineering of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, China;
Key Lab of Organic Optoelectronics & Molecular Engineering of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, China;
Organic semiconductors; Amorphous materials; Charge mobility; Non-adiabatic molecular dynamics; Monte Carlo simulations; Hole-only device;
机译:咪唑基离子液体的结构,动力学和热力学性质的多尺度建模:从头算DFT计算,分子模拟和状态预测方程
机译:咪唑基离子液体的结构,动力学和热力学性质的多尺度建模:从头算DFT计算,分子模拟和状态预测方程
机译:用于纳米级器件的纳米结构的分子尺制造:1.逐层电介质结构
机译:分子结构对POSS光学性质的影响:基于量子化学计算的DFT计算
机译:新型混合金属氧化物的合成,结构,表征,电子结构计算和功能特性(例如二次谐波产生,压电性,铁电性和热电性)
机译:纳米光电器件单层MoS2的结构与性能
机译:咪唑基离子液体的结构,动力学和热力学性质的多尺度建模:从头算DFT计算,分子模拟和状态预测方程
机译:掺杂小分子有机发光器件的电学和光学性质