polish the paragraph As mentioned earlier we selected COOH and OCHO as the first detection group and CHO and COH as the second detection group The top and side views of the adsorption of the four inte
As previously mentioned, we chose *COOH and *OCHO as our first detection group, and *CHO and *COH as the second detection group. Figures 1b-e display the top and side views of the adsorption of the four intermediates, and the adsorption systems have been fully optimized for structure. We ensured that the FeN4 size selected was sufficiently large to not impact the energy or electronic properties of the system. The adsorption distances for *COOH and *OCHO in the first detection group were 1.907 Å and 1.938 Å, respectively, while the adsorption distances for *CHO and *COH were slightly smaller at 1.878 Å and 1.698 Å, respectively. Figure 1 illustrates that the optimal adsorption sites for all four intermediates are on the Fe atom. From there, we initiated the relaxation process by positioning the various intermediates near the Fe atoms. Subsequently, we tested the adsorption energy of the intermediates on the six-membered ring (lateral position) and the five-membered ring (longitudinal position), and determined the final position and optimal orientation of each model.
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