Porphyrin, a novel and recognized material for its unique properties and complex structure, is considered to be structured into 2-dimensional sheets of covalent organic frameworks. The stability and the functionality of the material is studied using density functional theory. The material is studied for its application as an adsorbing material for greenhouse gases (GHG) and the significant properties are noted. The gas molecules CO, CO₂ and CH₄ were interacted with the metal free porphyrin sheet (PS) and the efficiency to adsorb CO₂ is found to be higher than for the other gas molecules under study. The adsorption energy of CO₂ on PS is calculated to be −0.190 eV which is comparatively higher than the adsorption strength of graphene. Similar studies were conducted with porphyrin sheet with ferrous metal ion (PSF) as the adsorbing material. The adsorption strength of PSF for CO₂ molecule is −0.914 eV which clearly demonstrates the tunability of the material. The HOMO-LUMO and the orbital localization plot along with the π-electron delocalization pathway confirm the adsorption of GHGs on PS and the efficiency of the material to attract gas molecules. The adsorption spectra confirm the adsorbing nature of both PS and PSF for the adsorption of gas molecules.

卟啉因其独特的性能和复杂的结构而被认为是一种新颖的材料，被认为可以构成共价有机骨架的二维片。使用密度泛函理论研究了材料的稳定性和功能性。研究了该材料作为温室气体（GHG）的吸附材料的应用，并指出了其重要的性能。气体分子CO，CO ₂和CH ₄与无金属卟啉片（PS）相互作用，发现吸附CO ₂的效率高于研究中的其他气体分子。CO ₂的吸附能PS上的C on值为-0.190eV，相对高于石墨烯的吸附强度。用亚铁金属离子（PSF）作为吸附材料的卟啉片进行了类似的研究。PSF对CO ₂分子的吸附强度为-0.914 eV，这清楚地证明了该材料的可调性。HOMO-LUMO和轨道定位图以及π电子离域路径证实了GHG在PS上的吸附以及材料吸引气体分子的效率。吸附光谱证实了PS和PSF对气体分子的吸附性质。