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Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces

By Aliaksei Mazheika and others
The excessive emissions of carbon dioxide (CO\(_2\)) into the atmosphere threaten to shift the CO\(_2\) cycle planet-wide and induce unpredictable climate changes. Using artificial intelligence (AI) trained on high-throughput first principles based data for a broad family of oxides, we develop a strategy for a rational design of catalytic materials... Show more
May 29, 2020
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Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces
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