Reaching a historic high of 36.3 gigatonnes in 2021, global CO₂ emissions from fossil fuel combustion continue to increase at an alarming rate. CO₂ removal technologies are part of the solution to tackle this crucial environmental challenge. Thus, the development of porous materials for storage and capture of gas molecules (in particular, carbon capture and storage) has attracted great interest both in academic and industrial communities due to its potential in mitigating atmospheric CO₂ concentrations.

Atomic-scale studies in porous materials are essential to stimulate progress in the design of better CO₂-adsorbents by elucidating gas-sorption surface mechanisms.

Spectroscopic techniques have the potential to shed light on the structural details of distinct materials' surfaces, including the type of chemical species formed upon CO₂ adsorption. Herein, we review the last 5 years of scientific developments wherein solid-state NMR and computational studies have been explored to investigate at the atomic level the structure and molecular dynamics of CO₂ species formed at porous surfaces.

化石燃料燃烧产生的全球 CO ₂排放量在 2021 年达到 36.3 吉吨的历史新高，继续以惊人的速度增长。CO ₂去除技术是应对这一关键环境挑战的解决方案的一部分。因此，开发用于储存和捕获气体分子（特别是碳捕获和储存）的多孔材料因其在减轻大气中 CO 2 浓度方面的潜力而引起了学术界和工业界的极大_兴趣。

多孔材料的原子尺度研究对于通过阐明气体吸附表面机制来促进更好的 CO ₂吸附剂设计取得进展至关重要。

光谱技术有可能阐明不同材料表面的结构细节，包括吸附CO _{2时形成的化学物质的类型。}在此，我们回顾了过去 5 年的科学发展，其中探索了固态 NMR 和计算研究，以在原子水平上研究在多孔表面形成的 CO 2 物种的结构和分子动力学_。