论文标题
探索电荷密度分布和杂交有机层层的电子特性
Exploring charge density distribution and electronic properties of hybrid organic-germanium layers
论文作者
论文摘要
使用第一原理计算研究了吸附在双二维族单层（Germanene）上的小有机配体的带隙调整和介电性能。我们表明，这些小群体的吸附保留了最初稳定的原始原始腰式锗纳米结构。电荷密度和化学键合分析表明，配体在锗层上被化学吸附。最后，我们说明裸露和配体吸附的德国烯的介电特性具有较大的各向异性。我们对有限间隙的发现显示了在生物传感器和太阳能电池中可能应用的纳米结构理性设计的开辟道路。
Band gap tuning and dielectric properties of small organic ligands adsorbed on bidimensional germanium monolayers (germanene) have been investigated using first-principles calculations. We show that the adsorption of these small groups retains the initially stable free-standing pristine buckled germanium nanostructures. Charge density and chemical bonding analysis show that the ligands are chemisorbed on the germanium layers. Finally we demosntrate that the dielectric properties of bare and ligand adsorbed germanene have a large anisotropy. Our findings of a finite gap shows open a path for rational design of nanostructures with possible applications in biosensors and solar cells.
