Plasmon-Enhanced Single-Molecule Electroluminescence: A Computational Study

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• 作者：Yuan Zhang ; Yaroslav Zelinskyy ; Volkhard May
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：December 13, 2012
• 年：2012
• 卷：116
• 期：49
• 页码：25962-25968
• 全文大小：325K
• 年卷期：v.116,no.49(December 13, 2012)
• ISSN：1932-7455

文摘

Photoemission due to current formation through a molecular junction is studied theoretically. Placing a single molecule between two spherical leads in which plasmon excitations are in near-resonance to the molecular excitation energy, an increase in the emission intensity by more than three orders of magnitude is demonstrated. Such a plasmon-enhanced single-molecule electroluminescence can be obtained for a small as well as a large reorganization energy upon molecular excitation. In the latter case, a certain part of the vibrational progression in the emission spectrum undergoes an increase. For large charging energies of the molecule, electroluminescence enhancement can be observed in a voltage range around 2 V.