Comprehensive Dataset and Machine Learning Analysis for Predicting Adsorption Energies on MXene Surfaces to Enhance Catalyst Design
收藏DataCite Commons2025-05-01 更新2025-05-17 收录
下载链接：
https://data.mendeley.com/datasets/bct4m7r88s
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资源简介：
This dataset and accompanying analysis provide insights into the adsorption energies of MXene surfaces, leveraging machine learning to enhance catalyst design for the water-gas shift reaction. The repository includes:
Comprehensive Dataset on MXene Properties for Catalyst Design (2024):
An extensive dataset compiled to characterize MXene properties relevant to catalytic activity, including adsorption energy values and structural parameters.
Machine Learning and Data Analysis for MXene-Based Catalysts (Python):
A Python-based notebook showcasing machine learning workflows for data analysis, model training, and predictions of adsorption energies.
提供机构：
Mendeley Data
创建时间：
2024-12-23
