NCHU Team Pioneers AI-Driven Breakthrough in Hydrogen Energy — Featured in Journal of Materials Chemistry A
2025-10-27
興新聞張貼者
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Source: College of Engineering, National Chung Hsing University
As the global community increasingly focuses on reducing carbon emissions and developing sustainable energy alternatives, hydrogen has become one of the most promising candidates in the transition toward clean energy. Among the various hydrogen production methods, electrocatalytic water splitting stands out for its potential. Yet, the crucial electrochemical steps involved specifically the hydrogen and oxygen evolution reactions, continue to encounter significant energy barriers, which have long hindered improvements in efficiency.
To address this challenge, a research team from National Chung Hsing University (NCHU) has successfully integrated artificial intelligence (AI) and machine learning algorithms with advanced electrocatalyst synthesis techniques. This synergy led to the development of a new AI-guided process optimization model that dramatically enhances hydrogen generation efficiency via water splitting. Their pioneering findings were recently published in the internationally renowned Journal of Materials Chemistry A (Royal Society of Chemistry) and featured as an inside front cover article in the issue.
This groundbreaking study is the part of National Science and Technology Council (NSTC) Frontier AI Research Program, under the “Thematic Research Group Project.” The interdisciplinary team comprises Professor Ming-Der Yang, Dean of the College of Engineering; Professor Chih-Ming Chen, Vice Dean; Professor Hung-Chung Li; and Professor Hou-Chien Chang, with contributions from Dr. Chandrasekaran Pitchai (Postdoctoral Fellow) and Ting-Yu Lo (Master’s student).
This team designed a vanadium-doped nickel–cobalt layered double hydroxide (NiCoV LDH) catalyst and employed an AI model to systematically analyze parameters such as material composition, electrolyte concentration, and synthesis temperature. The model accurately predicted the optimal synthesis and reaction conditions, resulting in a 21.4% increase in hydrogen production efficiency compared to the best previous experimental results with only a 6.1% deviation between AI prediction and experimental verification.
Further electrochemical and structural analyses revealed that the newly developed material exhibited enhanced electrical conductivity and excellent long-term operational stability, making it a promising candidate for scalable hydrogen production technologies.
Remarkably, the AI model required fewer than 50 experimental datasets to explore nearly one million possible outcomes, cutting down both time and material costs by more than 99% compared to conventional trial-and-error approaches.
Professor Chih-Ming Chen highlighted the broader impact of this achievement:
“This research demonstrates that AI can do far more than write essays, play chess, or chat - it can drive breakthroughs in energy science and help humanity transition faster toward a sustainable green energy future.”
As the global community increasingly focuses on reducing carbon emissions and developing sustainable energy alternatives, hydrogen has become one of the most promising candidates in the transition toward clean energy. Among the various hydrogen production methods, electrocatalytic water splitting stands out for its potential. Yet, the crucial electrochemical steps involved specifically the hydrogen and oxygen evolution reactions, continue to encounter significant energy barriers, which have long hindered improvements in efficiency.
To address this challenge, a research team from National Chung Hsing University (NCHU) has successfully integrated artificial intelligence (AI) and machine learning algorithms with advanced electrocatalyst synthesis techniques. This synergy led to the development of a new AI-guided process optimization model that dramatically enhances hydrogen generation efficiency via water splitting. Their pioneering findings were recently published in the internationally renowned Journal of Materials Chemistry A (Royal Society of Chemistry) and featured as an inside front cover article in the issue.
This groundbreaking study is the part of National Science and Technology Council (NSTC) Frontier AI Research Program, under the “Thematic Research Group Project.” The interdisciplinary team comprises Professor Ming-Der Yang, Dean of the College of Engineering; Professor Chih-Ming Chen, Vice Dean; Professor Hung-Chung Li; and Professor Hou-Chien Chang, with contributions from Dr. Chandrasekaran Pitchai (Postdoctoral Fellow) and Ting-Yu Lo (Master’s student).
This team designed a vanadium-doped nickel–cobalt layered double hydroxide (NiCoV LDH) catalyst and employed an AI model to systematically analyze parameters such as material composition, electrolyte concentration, and synthesis temperature. The model accurately predicted the optimal synthesis and reaction conditions, resulting in a 21.4% increase in hydrogen production efficiency compared to the best previous experimental results with only a 6.1% deviation between AI prediction and experimental verification.
Further electrochemical and structural analyses revealed that the newly developed material exhibited enhanced electrical conductivity and excellent long-term operational stability, making it a promising candidate for scalable hydrogen production technologies.
Remarkably, the AI model required fewer than 50 experimental datasets to explore nearly one million possible outcomes, cutting down both time and material costs by more than 99% compared to conventional trial-and-error approaches.
Professor Chih-Ming Chen highlighted the broader impact of this achievement:
“This research demonstrates that AI can do far more than write essays, play chess, or chat - it can drive breakthroughs in energy science and help humanity transition faster toward a sustainable green energy future.”


