Chloro-boron subphthalocyanine (Cl-BsubPc) is a representative within the phthalocyanine space and is an organic semiconductor that has been applied as an active material in organic photovoltaics (OPVs). Past work has been done to design a synthetic process that is well-suited for reaction scale-up of a BsubPc. This study investigates the life cycle implications of the established Cl-BsubPc synthetic process from an embodied energy standpoint. The embodied energy of the baseline process is modeled as 7929 MJ/kg-Cl-BsubPc using a cumulative energy demand (CED) methodology. The reaction solvent 1,2-dichlorobenzene is identified as the largest contributor to the total embodied energy with a specific CED of 2513 MJ/kg. Alternative aromatic solvents with lower embodied energies were identified from established databases and tested as drop-in replacements for 1,2-dichlorobenzene. A kinetic study was then conducted to investigate the optimal reaction time of several solvents. 2,4-Dichlorotoluene, with a specific CED of 64 MJ/kg, was found to be a viable alternative to 1,2-dichlorobenzene. Cl-BsubPc made from this new process was then incorporated into OPVs, and the device performance was compared to past baseline devices using Cl-BsubPc made from 1,2-dichlorobenzene. The performance was the same, further justifying the adoption of 2,4-dichlorotoluene in the synthesis of Cl-BsubPc and others.

中文翻译：

---

氯硼亚酞菁形成过程的隐含能量研究，以提高其可持续性

氯硼亚酞菁（Cl-BsubPc）是酞菁领域的代表，是一种有机半导体，已被用作有机光伏（OPV）中的活性材料。过去的工作是设计一种非常适合 BsubPc 反应放大的合成工艺。本研究从具体能源的角度研究了已建立的 Cl-BsubPc 合成过程的生命周期影响。使用累积能量需求 (CED) 方法将基线过程的隐含能量建模为 7929 MJ/kg-Cl-BsubPc。反应溶剂 1,2-二氯苯被认为是总隐含能量的最大贡献者，其特定 CED 为 2513 MJ/kg。从已建立的数据库中确定了具有较低隐含能量的替代芳香族溶剂，并作为 1,2-二氯苯的直接替代品进行了测试。然后进行动力学研究以研究几种溶剂的最佳反应时间。 2,4-二氯甲苯的特定 CED 为 64 MJ/kg，被发现是 1,2-二氯苯的可行替代品。然后将采用这种新工艺制成的 Cl-BsubPc 纳入 OPV 中，并将器件性能与使用由 1,2-二氯苯制成的 Cl-BsubPc 的过去基准器件进行比较。性能相同，进一步证明在 Cl-BsubPc 等合成中采用 2,4-二氯甲苯是合理的。