Molecular solar thermal energy storage in Dewar Pyrimidone beyond 1.6 MJ/kg

Storing sunlight in a compact and rechargeable form remains a central challenge for solar energy utilization. Molecular solar thermal (MOST) energy storage systems, which harness photon energy and release it as heat on demand, provide a direct approach, but have long failed to meet practical benchmarks. Inspired by the architecture of DNA, we report a pyrimidone-based MOST system that stores energy in the strained Dewar photoisomer upon excitation at 300 nm. Designed with sustainability in mind, the system operates solvent-free and remains compatible with aqueous environments while overcoming one of the field’s greatest hurdles: the controlled extraction and transfer of stored heat. When catalyzed by acid, the Dewar isomer releases enough heat to boil water (~0.5 mL). These advances help point the way toward decentralized solar heat storage and off-grid energy solutions.
, , , # Molecular solar thermal energy storage in Dewar Pyrimidone beyond 1.6 MJ/kg

Dataset DOI: [10.5061/dryad.rxwdbrvqg](https://doi.org/10.5061/dryad.rxwdbrvqg)

## **Author information**

Corresponding author: Grace G. D. Han ([[e-mail]](mailto:[e-mail]))^1,2^, K. N. Houk ([[e-mail]](mailto:[e-mail]))^3^

^1^Department of Chemistry and Biochemistry, University of California, Santa Barbara, CA, 93016 USA.

^2^Department of Chemistry, Brandeis University, Waltham, MA, 02453 USA.

^3^Department of Chemistry and Biochemistry, University of California, Los Angeles, CA, 90095-156 USA.

## **Description of the data and file structure**

This supplementary dataset supports our study on a pyrimidone-based molecular solar thermal (MOST) energy storage system. The dataset includes:

* UV–Vis spectroscopy datasets (Files 1–5): solution, thin-film, and cycling studies in DMSO and water
* Photoisomerization quantum yield study (File 6)
* Thermal reversion kinetics study (...

将阳光以紧凑且可重复充电的形式储存，仍是太阳能利用领域的核心挑战。分子太阳能热（Molecular solar thermal, MOST）储能系统可捕获光子能量，并按需以热量形式释放，是一种直接可行的技术方案，但长期以来未能达到实用化性能指标。受脱氧核糖核酸（DNA）结构的启发，我们报道了一种基于嘧啶酮的MOST系统：该系统在300 nm波长激发下，可将能量储存于应变型杜瓦光异构体（Dewar photoisomer）中。该系统兼顾可持续性设计，可在无溶剂条件下运行，且兼容水环境，同时攻克了该领域长期存在的一大核心难题——储存热量的可控提取与转移。在酸催化条件下，该杜瓦异构体可释放足够热量将约0.5 mL水煮沸。这些进展为分布式太阳能储热及离网能源解决方案指明了发展方向。

# 基于杜瓦嘧啶酮的分子太阳能热储能，能量密度超1.6 MJ/kg

数据集DOI：[10.5061/dryad.rxwdbrvqg](https://doi.org/10.5061/dryad.rxwdbrvqg)

## 作者信息
通讯作者：Grace G. D. Han（邮箱：[e-mail]）^1,2^，K. N. Houk（邮箱：[e-mail]）^3^
^1^ 美国加利福尼亚大学圣巴巴拉分校化学与生物化学系，加利福尼亚州圣巴巴拉，93016
^2^ 美国布兰迪斯大学化学系，马萨诸塞州沃尔瑟姆，02453
^3^ 美国加利福尼亚大学洛杉矶分校化学与生物化学系，加利福尼亚州洛杉矶，90095-156

## 数据与文件结构说明
本补充数据集支撑了我们关于基于嘧啶酮的分子太阳能热（MOST）储能系统的研究。数据集包含：
* 紫外-可见（UV–Vis）光谱数据集（文件1至5）：包含在二甲基亚砜（DMSO）与水溶液中的溶液态、薄膜态及循环测试数据
* 光异构化量子产率研究数据集（文件6）
* 热逆反应动力学研究（……）