基于机器学习的二元合金上的CO2/CO吸附性能的预测模型

Xiaofeng Cao1, Wenjia Luo1, Huimin Liu1

  • 1School of Chemistry and Chemical Engineering, Southwest Petroleum University Chengdu 610500 P. R. China luowenjia@swpu.edu.cn.

RSC advances
|April 17, 2024
PubMed
概括

机器学习 (ML) 模型现在可以预测单原子合金上的二氧化碳和二氧化碳吸附. 这加速了催化剂选,克服了密度函数理论 (DFT) 的计算局限性.

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