Artificial Intelligence-aided Synthesis and Characterization of 2D Materials


Book Description

Semiconductor chips serve as the fundamental building blocks of modern electronics and form the core of artificial intelligence systems. However, as the technology node approaches the physical limitation for Si, significant scattering in the channel, current leakage and performance degradation will prevent further device scaling down. To address this challenge, two-dimensional (2D) materials have emerged as promising candidates for next-generation transistors, to maintain the pace of Moore's Law-doubling the number of transistors every 18 months. The integration of AI and automation in material science has recently drawn significant attention, offering the potential to expedite and enhance material development processes. This thesis aims to develop an autonomous platform to accelerate 2D material synthesis with four distinct projects. First, we employ named entity recognition (NER) and extractive question-answering (EQA) models to extract experimental recipes, including categorical and numerical data, illustrating how to trace the trajectories within a single material and between two different materials. Additionally, we use generative language models to summarize and generate synthesis recipes for knowledge connections and knowledge transfers in the synthesis of 2D materials. Second, we explore the correlation between growth parameters and provided the growth windows for high-quality hBN by the Gaussian process. Third, we demonstrate cost-effective automated synthesis and characterization systems for CVD-grown graphene by upgrading existing equipment and adopting open-source software and hardware solutions. Moreover, we propose an integrated autonomous platform that combines robotics, multiphysics simulations, machine learning, and automated synthesis and characterization systems for 2D material synthesis. Finally, we systematically investigate t he connections between PL signatures and Raman modes employing statistical analysis, convolutional neural networks, interpretable models, and support vector machines, delivering comprehensive insights into the physical mechanisms linking PL and Raman features. This thesis may serve as a potential framework for developing and discovering novel materials for next-generation electronics.




Two-dimensional Materials


Book Description

There are only a few discoveries and new technologies in materials science that have the potential to dramatically alter and revolutionize our material world. Discovery of two-dimensional (2D) materials, the thinnest form of materials to ever occur in nature, is one of them. After isolation of graphene from graphite in 2004, a whole other class of atomically thin materials, dominated by surface effects and showing completely unexpected and extraordinary properties, has been created. This book provides a comprehensive view and state-of-the-art knowledge about 2D materials such as graphene, hexagonal boron nitride (h-BN), transition metal dichalcogenides (TMD) and so on. It consists of 11 chapters contributed by a team of experts in this exciting field and provides latest synthesis techniques of 2D materials, characterization and their potential applications in energy conservation, electronics, optoelectronics and biotechnology.




2D Materials


Book Description

Most reference texts covering two-dimensional materials focus specifically on graphene, when in reality, there are a host of new two-dimensional materials poised to overtake graphene. This book provides an authoritative source of information on twodimensional materials covering a plethora of fields and subjects and outlining all two-dimensional materials in terms of their fundamental understanding, synthesis, and applications.




Machine Learning in 2D Materials Science


Book Description

Data science and machine learning (ML) methods are increasingly being used to transform the way research is being conducted in materials science to enable new discoveries and design new materials. For any materials science researcher or student, it may be daunting to figure out if ML techniques are useful for them or, if so, which ones are applicable in their individual contexts, and how to study the effectiveness of these methods systematically. KEY FEATURES • Provides broad coverage of data science and ML fundamentals to materials science researchers so that they can confidently leverage these techniques in their research projects. • Offers introductory material in topics such as ML, data integration, and 2D materials. • Provides in-depth coverage of current ML methods for validating 2D materials using both experimental and simulation data, researching and discovering new 2D materials, and enhancing ML methods with physical properties of materials. • Discusses customized ML methods for 2D materials data and applications and high-throughput data acquisition. • Describes several case studies illustrating how ML approaches are currently leading innovations in the discovery, development, manufacturing, and deployment of 2D materials needed for strengthening industrial products. • Gives future trends in ML for 2D materials, explainable AI, and dealing with extremely large and small, diverse datasets. Aimed at materials science researchers, this book allows readers to quickly, yet thoroughly, learn the ML and AI concepts needed to ascertain the applicability of ML methods in their research.




Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures


Book Description

Synthesis, Modelling and Characterization of 2D Materials and Their Heterostructures provides a detailed discussion on the multiscale computational approach surrounding atomic, molecular and atomic-informed continuum models. In addition to a detailed theoretical description, this book provides example problems, sample code/script, and a discussion on how theoretical analysis provides insight into optimal experimental design. Furthermore, the book addresses the growth mechanism of these 2D materials, the formation of defects, and different lattice mismatch and interlayer interactions. Sections cover direct band gap, Raman scattering, extraordinary strong light matter interaction, layer dependent photoluminescence, and other physical properties. Explains multiscale computational techniques, from atomic to continuum scale, covering different time and length scales Provides fundamental theoretical insights, example problems, sample code and exercise problems Outlines major characterization and synthesis methods for different types of 2D materials




Two-dimensional Materials - Synthesis, Characterization and Potential Applications


Book Description

There are only a few discoveries and new technologies in materials science that have the potential to dramatically alter and revolutionize our material world. Discovery of two-dimensional (2D) materials, the thinnest form of materials to ever occur in nature, is one of them. After isolation of graphene from graphite in 2004, a whole other class of atomically thin materials, dominated by surface effects and showing completely unexpected and extraordinary properties, has been created. This book provides a comprehensive view and state-of-the-art knowledge about 2D materials such as graphene, hexagonal boron nitride (h-BN), transition metal dichalcogenides (TMD) and so on. It consists of 11 chapters contributed by a team of experts in this exciting field and provides latest synthesis techniques of 2D materials, characterization and their potential applications in energy conservation, electronics, optoelectronics and biotechnology.




2D Materials for Electronics, Sensors and Devices


Book Description

2D Materials for Electronics, Sensors and Devices: Synthesis, Characterization, Fabrication and Application provides an overview of various top-down and bottom-up synthesis techniques, along with stitching, stacking and stoichiometric control methods for different 2D materials and their heterostructures. The book focuses on the widespread applications of various 2D materials in high-performance and low-power sensors, field effect devices, flexible electronics, straintronics, spintronics, brain-inspired electronics, energy harvesting and energy storage devices. This is an important reference for materials scientists and engineers looking to gain a greater understanding on how 2D materials are being used to create a range of low cost, sustainable products and devices. Discusses the major synthesis and preparation methods of a range of emerging 2D electronic materials Provides state-of–the-art information on the most recent advances, including theoretical and experimental studies and new applications Discusses the major challenges of the mass application of 2D materials in industry




Artificial Intelligence-Aided Materials Design


Book Description

This book describes the application of artificial intelligence (AI)/machine learning (ML) concepts to develop predictive models that can be used to design alloy materials, including hard and soft magnetic alloys, nickel-base superalloys, titanium-base alloys, and aluminum-base alloys. Readers new to AI/ML algorithms can use this book as a starting point and use the MATLAB® and Python implementation of AI/ML algorithms through included case studies. Experienced AI/ML researchers who want to try new algorithms can use this book and study the case studies for reference. Offers advantages and limitations of several AI concepts and their proper implementation in various data types generated through experiments and computer simulations and from industries in different file formats Helps readers to develop predictive models through AI/ML algorithms by writing their own computer code or using resources where they do not have to write code Covers downloadable resources such as MATLAB GUI/APP and Python implementation that can be used on common mobile devices Discusses the CALPHAD approach and ways to use data generated from it Features a chapter on metallurgical/materials concepts to help readers understand the case studies and thus proper implementation of AI/ML algorithms under the framework of data-driven materials science Uses case studies to examine the importance of using unsupervised machine learning algorithms in determining patterns in datasets This book is written for materials scientists and metallurgists interested in the application of AI, ML, and data science in the development of new materials.




Application of Artificial Intelligence in New Materials Discovery


Book Description

The book is concerned with the use of Artificial Intelligence in the discovery, production and application of new engineering materials. Topics covered include nano-robots. data mining, solar energy systems, materials genomics, polymer manufacturing, and energy conversion issues. Keywords: Artificial Intelligence, Mathematical Models, Machine Learning, Artificial Neural Networks, Bayesian Analysis, Vector Machines, Heuristics, Crystal Structure, Component Prediction, Process Optimization, Density Functional Theory, Monitoring, Classification, Nano-Robots, Data Mining, Solar Photovoltaics, Renewable Energy Systems, Alternative Energy Sources, Material Genomics, Polymer Manufacturing, Energy Conversion.




Preparation and Properties of 2D Materials


Book Description

Since the great success of graphene, atomically thin-layered nanomaterials, called two dimensional (2D) materials, have attracted tremendous attention due to their extraordinary physical properties. Specifically, van der Waals heterostructured architectures based on a few 2D materials, named atomic-scale Lego, have been proposed as unprecedented platforms for the implementation of versatile devices with a completely novel function or extremely high-performance, shifting the research paradigm in materials science and engineering. Thus, diverse 2D materials beyond existing bulk materials have been widely studied for promising electronic, optoelectronic, mechanical, and thermoelectric applications. Especially, this Special Issue included the recent advances in the unique preparation methods such as exfoliation-based synthesis and vacuum-based deposition of diverse 2D materials and also their device applications based on interesting physical properties. Specifically, this Editorial consists of the following two parts: Preparation methods of 2D materials and Properties of 2D materials