用于培育硅基光致发光的相互作用纳米晶体之间的载流子倍增
Carrier multiplication between interacting nanocrystals for fostering silicon-based photovoltaics
摘要：
太阳能作为一种清洁的可再生能源，如何高效地将太阳辐射转化为电流是现代科学研究的重要课题之一。目前，利用纳米晶体之间的相互作用似乎是一个有前途的路线，以促进建立第三代光化学。在这里，我们采用一个完全从头算方案来估计纳米粒子相互作用的相互作用的硅纳米晶体的载流子倍增动力学的作用。能量和电荷转移为基础的载流子倍增事件的研究作为一个功能的分离显示的好处引起的波函数共享制度。我们证明了这些重组机制的光伏应用的情况下，硅纳米晶体排列在密集的阵列，在原子尺度的条件下最大限度地提高结果量化的相关性。
英文摘要：
Being a source of clean and renewable energy, the possibility to convert solar radiation in electric current with high efficiency is one of the most important topics of modern scientific research. Currently the exploitation of interaction between nanocrystals seems to be a promising route to foster the establishment of third generation photovoltaics. Here we adopt a fully ab-initio scheme to estimate the role of nanoparticle interplay on the carrier multiplication dynamics of interacting silicon nanocrystals. Energy and charge transfer-based carrier multiplication events are studied as a function of nanocrystal separation showing benefits induced by the wavefunction sharing regime. We prove the relevance of these recombinative mechanisms for photovoltaic applications in the case of silicon nanocrystals arranged in dense arrays, quantifying at an atomistic scale which conditions maximize the outcome.
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