Interfacial electronic structure of Cl6SubPc non-fullerene acceptors in organic photovoltaics using soft X-ray spectroscopies,Physical Chemistry Chemical Physics

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Interfacial electronic structure of Cl6SubPc non-fullerene acceptors in organic photovoltaics using soft X-ray spectroscopies
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2017-11-09 00:00:00 , DOI: 10.1039/c7cp04876a
Hyunbok Lee _{1,

2,

3,

4} , Sun Woo Ahn _{1,

4,

5,

6} , Sim Hee Ryu _{1,

4,

5,

6} , Bo Kyung Ryu _{1,

4,

5,

6} , Myeung Hee Lee _{1,

4,

5,

6} , Sang Wan Cho _{1,

4,

5,

6} , Kevin E. Smith _{1,

7,

8,

9} , Tim S. Jones _{10,

10,

11,

12,

13}

Affiliation

In organic photovoltaics (OPVs), determining the energy-level alignment of a donor and an acceptor is particularly important since the interfacial energy gap between the highest occupied molecular orbital (HOMO) level of a donor and the lowest unoccupied molecular orbital (LUMO) level of an acceptor (E^D_HOMO–E^A_LUMO) gives the theoretical maximum value of the open-circuit voltage (V_OC). To increase the E^D_HOMO–E^A_LUMO, non-fullerene acceptors, which have a lower electron affinity (EA) than C₆₀, are receiving increasing attention. In this study, we investigated the energy-level alignment at the interface of a boron chloride subphthalocyanine (SubPc) donor and a halogenated SubPc (Cl₆SubPc) acceptor using soft X-ray spectroscopy techniques. The estimated E^D_HOMO–E^A_LUMO of Cl₆SubPc/SubPc was 1.95 eV, which was significantly higher than that of 1.51 eV found at the interface of C₆₀/SubPc. This increased E^D_HOMO–E^A_LUMO was the origin of the enhanced V_OC in OPVs. Additionally, we studied the molecular orientation of Cl₆SubPc using angle-dependent X-ray absorption spectroscopy. The highly disordered Cl₆SubPc molecules result in low carrier mobility, which contributes to the lower short-circuit current density of the Cl₆SubPc acceptor OPVs than the C₆₀ acceptor OPVs.

中文翻译：

使用软X射线光谱学的有机光伏中Cl ₆ SubPc非富勒烯受体的界面电子结构

在有机光伏（OPV）中，确定施主和受主的能级排列特别重要，因为施主的最高占据分子轨道（HOMO）能级与最低未占据分子轨道（LUMO）能级之间的界面能隙受体的电导率（E ^D_HOMO – E ^A_LUMO）给出了开路电压的理论最大值（V _OC）。为了增加E ^D_HOMO – E ^A_LUMO，非富勒烯受体，其电子亲和力（EA）低于C ₆₀，正受到越来越多的关注。在这项研究中，我们使用软X射线光谱技术研究了氯化硼亚酞菁（SubPc）供体和卤代SubPc（Cl ₆ SubPc）受体界面的能级排列。Cl ₆ SubPc / SubPc的估计E ^D_HOMO – E ^A_LUMO为1.95 eV，显着高于C ₆₀ / SubPc界面处的1.51 eV 。E ^D_HOMO的增加– E ^A_LUMO是增强型V _OC的起源在OPV中。另外，我们使用依赖于角度的X射线吸收光谱研究了Cl ₆ SubPc的分子取向。高度无序的Cl ₆ SubPc分子导致较低的载流子迁移率，这导致Cl ₆ SubPc受体OPV的短路电流密度低于C ₆₀受体OPV。

更新日期：2017-11-22

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