Molecular dynamics for electrocatalysis: Mechanism explanation and performance prediction
Designing low-cost, high-performing electrocatalysts is key to green energy development, yet relying solely on the ''synthesis-characterization'' catalyst screening model is time-consuming and costly. There are two main applications for Molecular dynamics (MD) simulations in elec...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-09-01
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| Series: | Energy Reviews |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772970223000159 |