相关实验视频

Updated: Sep 9, 2025

Morphology Control for Fully Printable Organic–Inorganic Bulk-heterojunction Solar Cells Based on a Ti-alkoxide and Semiconducting Polymer

Morphology Control for Fully Printable Organic–Inorganic Bulk-heterojunction Solar Cells Based on a Ti-alkoxide and Semiconducting Polymer

Published on: January 10, 2017

用于下一代有机太阳能电池的非富勒接收器的计算洞察

Zunaira Khan¹, Hussain J Alathlawi², Karrar Hazim Salem³

¹Department of Chemistry, University of Agriculture Faisalabad 38000 Pakistan.

|September 2, 2025

概括

为有机太阳能电池 (OSC) 设计了七种新的非烯受体 (NFAs). 该计算研究确定了具有可调节性质和高效率潜力的有前途的候选者,克服了传统烯受体的局限性.

科学领域:

材料科学
太阳能发电
有机电子

背景情况:

有机太阳能电池 (OSC) 中的传统烯受体在调节性,吸收光谱和形态稳定性方面存在局限性,阻碍了设备的效率.
非富勒接受器 (NFAs) 提供可调节的能量水平和广泛的光学吸收,成为高性能OSC的有希望的替代品.

研究的目的:

通过计算设计和评估基于胺核的新型供体-受体分子作为OSC的潜在NFA.
系统地评估光伏参数并确定具有卓越性能特性的分子.

主要方法:

使用B3LYP/6-31G(d,p) 级别进行密度函数理论 (DFT) 和时间依赖DFT (TD-DFT) 计算.
评估主要的光伏参数,包括带隙,边界轨道能量,吸收光谱,光采集效率 (LHE),重组能量 (λe, λh),二极子时刻,开放电路电压 (Voc) 和填充系数 (FF).

主要成果:

设计了七种新型的捐赠-接受分子 (BPDM1-BPDM7),它们具有狭窄的带隙 (1.84-2.18 eV) 和红移吸收 (681-829 nm).
BPDM3显示了最小的带隙 (1.84 eV). BPDM7显示了最高的双极矩 (3.88 D),开放电路电压 (Voc) (1.93 V) 和填充系数 (FF) (92.96%).
BPDM4表现出最低的重组能量 (λe,λh),表明电荷移动性优越. 激子结合能量的减少表明电荷分离的增强.

结论:

设计的基于胺的NFA显示出高效的有机太阳能电池的巨大潜力.
这项研究为下一代NFA的合理设计和实验开发提供了理论基础.
这些发现为克服OSC技术中基于烯的受体的局限性铺平了道路.

更多相关视频

In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation

In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation

Published on: March 2, 2021

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds

Published on: October 18, 2018

相关概念视频

Photochemical Electrocyclic Reactions: Stereochemistry

Photochemical Electrocyclic Reactions: Stereochemistry

The absorption of UV–visible light by conjugated systems causes the promotion of an electron from the ground state to the excited state. Consequently, photochemical electrocyclic reactions proceed via the excited-state HOMO rather than the ground-state HOMO. Since the ground- and excited-state HOMOs have different symmetries, the stereochemical outcome of electrocyclic reactions depends on the mode of activation; i.e., thermal or photochemical.
Selection Rules: Photochemical Activation

Thermal and Photochemical Electrocyclic Reactions: Overview

Thermal and Photochemical Electrocyclic Reactions: Overview

Electrocyclic reactions are reversible reactions. They involve an intramolecular cyclization or ring-opening of a conjugated polyene. Shown below are two examples of electrocyclic reactions. In the first reaction, the formation of the cyclic product is favored. In contrast, in the second reaction, ring-opening is favored due to the high ring strain associated with cyclobutene formation.

P-N junction

P-N junction

A p-n junction is formed when p-type and n-type semiconductor materials are joined together. At the interface of the p-n junction, holes from the p-side and electrons from the n-side begin to diffuse into the opposite sides due to the concentration gradient. This diffusion of carriers leads to a region around the junction where there are no free charge carriers, known as the depletion region. The charge density within the depletion region for the n-side and p-side can be described by the...