Meet the editor

Shafigh Mehraeen is an Assistant Professor at the University of Illinois at Chicago. He received his M.Sc. and Ph.D. in Mechanical Engineering, both from Stanford University under the supervision of Andrew Spakowitz. For his Ph.D., he studied the impact of molecular elasticity on the behavior of semi-flexible polymers and protein self-assembly. As a postdoctoral scholar, he studied the impact of active layer morphology on bimolecular

recombination losses in organic photovoltaics, and transition state theory under the supervision of Jean-Luc Bredas at Georgia Institute of Technology, and Jianshu Cao at MIT, respectively. He has published three books, more than 30 scientific papers, and served as a reviewer for major scientific journals. His current research focuses on applying molecular simulations, atomistic modeling, and density functional theory to address directed self-assembly of nanoparticles on templated surfaces, photochemistry of organic solar cells, and polymer and electrocatalyst design using machine learning and artificial intelligence.

Contents

*by Shafigh Mehraeen*

*by Jaroslav Ilnytskyi*

*by Thi Giang Le*

*and Qian Chen*

Groups: Computer Simulations

**Preface XI**

**Chapter 1 1**

**Chapter 2 5**

**Chapter 3 25**

**Chapter 4 43**

**Chapter 5 75**

Introductory Chapter: Self-Assembly of Nanostructures

Self-Assembly of Nanoparticles Decorated by Liquid Crystalline

Self-Assembly of GeMn Nanocolumns in GeMn Thin Films

*by Ahyoung Kim, Lehan Yao, Falon Kalutantirige, Shan Zhou* 

Self-Assembled Copper Polypyridyl Supramolecular Metallopolymer

Patchy Nanoparticle Synthesis and Self-Assembly

*by Zushuang Xiong, Lanhai Lai and Tianfeng Chen*

Achieving Enhanced Anticancer Efficacy

## Contents


Preface

Self-assembly of nanostructures has been identified as one of the important topics of nanoscience. Self-assembly, as a bottom-up approach, has the potential to lead future scientific research, including nanoelectronics, optoelectronics, spintronics, nanotechnology, nanobiotechnology, nanomanufacturing, drug delivery, materials

Recent works on self-assembled nanostructures have focused on the fundamental steps in crystal growth, chemical synthesis and self-organization of nanoparticles, quantum dots, 1D, 2D, and 3D nanostructures as well as their applications. These steps include nanocharacterization, lithographic techniques to apply nanopatterning, and mechanistic understanding of the self-assembly process from atomistic and molecular scale to the device scale. The main topics of interest encompass fabrication of (i) 0D nanostructures such as nanocrystals, quantum dots, and Q-bits; (ii) 1D nanostructures such as nanotubes, nanorods, and nanowires; (iii) 2D nanostructures such as ordered mesoporous oxides, graphene, nanomembranes, and silicene; and (iv) 3D nanostructures such as photonic crystals, bandgap materials, waveguides, and monolithic nanostructures. We believe that self-assembly will be a game changer in future nanotechnology and nanofabrication, and a technique for efficient, robust, and inexpensive manufacturing of unprecedented structures

This book is the result of concerted efforts to bring together studies in the broad field of research on self-assembly of nanostructures performed by reputable researchers in the field. The goal is to provide modern and advanced topics in self-assembly of nanostructures, nanomanufacturing techniques, and mechanistic understanding associated with the self-assembly process, not yet reflected by other books. As such, we focused on the physics of nanostructures at the nanoscale, including (1) large scale patterning formed by spontaneous structuring, (2) theoretical and experimental works to better understand the formation, progression, and organization of the self-assemblages, and (3) the new optical, electrical, mechanical, and medical properties of the assemblages. We hope that this book will serve as a guide for researchers, and inspire research ideas for potential future directions in the area of self-assembly of nanostructures and patchy nanoparticles.

This volume contains five chapters that cover the following directions. Chapter 1 the Introductory chapter - briefly covers the latest developments in self-assembly of nanostructures, the core concepts, and active areas of research in the field. The remaining four chapters focus on different aspects of self-assembly of nanostructures. Every chapter provides an overview of the background for the subject matter, and description of the solution that was initially proposed by the authors.

Chapter 2 describes a computer simulation methodology to predict the assemblages of decorated nanoparticles, which are composed of a central core and a shell of ligands. The chapter dissects the impact of temperature, surface density, and type of ligands on the self-assembly morphology of the decorated nanoparticles. The chapter also highlights the application of chromophores in ligands, which enable

photo-assisted self-assembly of the nanoparticles.

science, robotics, and the like.

with defined functionalities.
