Exfoliation mechanisms of 2D materials and their applications
Due to the strong in-plane but weak out-of-plane bonding, it is relatively easy to separate
nanosheets of two-dimensional (2D) materials from their respective bulk crystals. This …
nanosheets of two-dimensional (2D) materials from their respective bulk crystals. This …
Deep dive into machine learning density functional theory for materials science and chemistry
With the growth of computational resources, the scope of electronic structure simulations has
increased greatly. Artificial intelligence and robust data analysis hold the promise to …
increased greatly. Artificial intelligence and robust data analysis hold the promise to …
Electrochemical synthesis of urea on MBenes
Urea is an important raw material in the chemical industry and is widely used as a nitrogen
source in chemical fertilizers. The current industrial urea synthesis not only requires harsh …
source in chemical fertilizers. The current industrial urea synthesis not only requires harsh …
Chemical hardness-driven interpretable machine learning approach for rapid search of photocatalysts
Strategies combining high-throughput (HT) and machine learning (ML) to accelerate the
discovery of promising new materials have garnered immense attention in recent years. The …
discovery of promising new materials have garnered immense attention in recent years. The …
Establishing theoretical landscapes for identifying basal plane active sites in MBene toward multifunctional HER, OER, and ORR catalysts
Y Zhang, Y Zhang, Z Guo, Y Fang, C Tang… - Journal of Colloid and …, 2023 - Elsevier
Exploring multifunctional electrocatalysts to realize efficient hydrogen evolution reaction
(HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) is urgently …
(HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) is urgently …
Machine learning guided hydrothermal synthesis of thermochromic VO2 nanoparticles
Y Chen, H Ji, M Lu, B Liu, Y Zhao, Y Ou, Y Wang… - Ceramics …, 2023 - Elsevier
Vanadium dioxide (VO 2) is a promising material for energy-saving smart windows due to its
reversible metal-to-insulator transition near room temperature, concomitantly with a …
reversible metal-to-insulator transition near room temperature, concomitantly with a …
Symbolic Transformer Accelerating Machine Learning Screening of Hydrogen and Deuterium Evolution Reaction Catalysts in MA2Z4 Materials
J Zheng, X Sun, J Hu, SB Wang, Z Yao… - … Applied Materials & …, 2021 - ACS Publications
Two-dimensional (2D) materials have been developed into various catalysts with high
performance, but employing them for develo** highly stable and active nonprecious …
performance, but employing them for develo** highly stable and active nonprecious …
Machine learning screening of metal-ion battery electrode materials
Rechargeable batteries provide crucial energy storage systems for renewable energy
sources, as well as consumer electronics and electrical vehicles. There are a number of …
sources, as well as consumer electronics and electrical vehicles. There are a number of …
The data-intensive scientific revolution occurring where two-dimensional materials meet machine learning
Machine learning (ML) has experienced rapid development in recent years and been widely
applied to assist studies in various research areas. Two-dimensional (2D) materials, due to …
applied to assist studies in various research areas. Two-dimensional (2D) materials, due to …
N-functionalized Ti2B MBene as high-performance anode materials for sodium-ion batteries: A DFT study
Exploring the electrode materials for rechargeable metal-ion batteries other than lithium is a
key link to the design and development of the next-generation energy storage device …
key link to the design and development of the next-generation energy storage device …