相关论文: Artificial Intelligence-Enabled Holistic Design of…
Carbon-based nanomaterials (CBNs) are showing significant potential in various fields, such as electronics, energy, and mechanics. However, their practical applications face synthesis challenges stemming from the complexities of structural…
Catalytic-materials design requires predictive modeling of the interaction between catalyst and reactants. This is challenging due to the complexity and diversity of structure-property relationships across the chemical space. Here, we…
The selective etching of carbon nanotubes has been widely explored as a post-synthetic route for enriching semiconducting species. As nanoelectronic applications increasingly demand pure semiconducting nanotubes for use in field-effect…
Combining high-throughput experiments with machine learning allows quick optimization of parameter spaces towards achieving target properties. In this study, we demonstrate that machine learning, combined with multi-labeled datasets, can…
In this study, the synthesis of multi-walled carbon nanotubes (MWCNTs) was carried out by chemical vapor deposition (CVD) using propane as the carbon source and Si as the catalyst support. The effect of CVD process variables such as…
Development of cost-effective hydrogen evolution reaction (HER) catalysts with outstanding catalytic activity, replacing cost-prohibitive noble metal-based catalysts, is critical for practical green hydrogen production. A popular strategy…
Carbon nanotube (CNT) is expected for much more important and broader applications in the future, because of its amazing electrical and mechanical properties. However, today, the prospect is detained by the fact that the growth of CNTs…
We present a pipeline for predicting mechanical properties of vertically-oriented carbon nanotube (CNT) forest images using a deep learning model for artificial intelligence (AI)-based materials discovery. Our approach incorporates an…
The transition to sustainable green hydrogen production demands innovative electrocatalyst design strategies that can overcome current technological limitations. This study introduces a comprehensive data-driven approach to predicting and…
Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…
Macroscopic fibers of carbon nanotubes (CNT) have emerged as an ideal architecture to exploit the exceptional properties of CNT building blocks in applications ranging from energy storage to reinforcement in structural composites.…
High-performance catalysts are crucial for sustainable energy conversion and human health. However, the discovery of catalysts faces challenges due to the absence of efficient approaches to navigating vast and high-dimensional structure and…
An effective deep learning development process is critical for widespread industrial adoption, particularly in the automotive sector. A typical industrial deep learning development cycle involves customizing and re-designing an…
The field of catalysis holds paramount importance in shaping the trajectory of sustainable development, prompting intensive research efforts to leverage artificial intelligence (AI) in catalyst design. Presently, the fine-tuning of…
When developing Computer Aided Detection (CAD) systems for Digital Breast Tomosynthesis (DBT), the complexity arising from the volumetric nature of the modality poses significant technical challenges for obtaining large-scale accurate…
The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based…
Transforming CO$_2$ into methanol represents a crucial step towards closing the carbon cycle, with thermoreduction technology nearing industrial application. However, obtaining high methanol yields and ensuring the stability of…
Heterogeneous catalysis is an example of a complex materials function, governed by an intricate interplay of several processes, e.g., the different surface chemical reactions, and the dynamic re-structuring of the catalyst material at…
Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…
Large-scale fully interconnected ring carbon nanotube (CNT) networks were first prepared using thermo chemical vapor deposition in nano-channel network templates of porous anodic alumina. This conductive CNT network film consists of…