88 citations · 132 across the 5 of their papers we have counts for
5 papers
Artificial Intelligence-Enabled Holistic Design of Catalysts Tailored for Semiconducting Carbon Nanotube Growth
Liu Qian, Yue Li, Ying Xie +6
Catalyst design is crucial for materials synthesis, especially for complex reaction networks. Strategies like collaborative catalytic systems and multifunctional catalysts are effe…
Understanding High-Temperature Chemical Reactions on Metal Surfaces
Pai Li, Xiongzhi Zeng, Zhenyu Li
Chemical reactions on metal surfaces are important in various processes such as heterogeneous catalysis and nanostructure growth. At moderate or lower temperatures, these reactions…
Can High-Temperature Reactions Be Described by a Minimum Energy Path Model? Steric Hindrance Matters
Xiongzhi Zeng, Zongyang Qiu, Pai Li +2
High-temperature reactions widely exist in nature. However, they are difficult to be characterized either experimentally or computationally. The routinely used minimum energy path…
Dominant Kinetic Pathways of Graphene Growth in Chemical Vapor Deposition: The Role of Hydrogen
Pai Li, Zhenyu Li, Jinlong Yang
The most popular way to produce graphene nowadays is chemical vapor deposition, where, surprisingly, H gas is routinely supplied even though it is a byproduct itself. In this s…
δ-phosphorene: a two dimensional material with high negative Poisson's ratio
Haidi Wang, Xingxing Li, Pai Li +1
As a basic mechanical parameter, Poisson's ratio (ν) measures the mechanical responses of solids against external loads. In rare cases, materials have a negative Poisson's ratio (N…