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v
Dedication
For my wife Karen, for her dedication and love, and for Sophie and Maxwell.
Donald W. Brenner

For my dearest wife Marina, and for my children Lydia and Alexander.
Sergey E. Lyshevski
To my wife, Kathy, and my family for their loving support and patience.
Gerald J. Iafrate

vii
Preface
The first edition of the Handbook of Nanoscience, Engineering, and Technology was published in early
2003, reflecting many of the nanoscience possibilities envisioned by Richard Feynman in his 1959 address,
“There is Plenty of Room at the Bottom.” In his address, Feynman speculated about what might be on
the molecular scale, and challenged the technical community “to find ways of manipulating and control-
ling things on a small scale.” Inspired by the vision of Feynman, nanoscience is today defined as the study
of material manipulation and control at the molecular scale, that is, a spatial scale of the order of a few
hundred angstroms, less than one-thousandth of the width of a human hair. The extraordinary feature
of nanoscience is that it allows for the tailoring and combining of the physical, biological, and engineering
properties of matter at a very low level of nature’s architectural building blocks. Critical to progress in
nanoscience has been the stunning new achievements in fabrication, chemical processing, and nano
resolution tool development in the last five decades, driven in large part by the microelectronics revolu-
tion. These developments today allow for molecular level tailoring and control of materials not heretofore
possible except through naturally occurring atomic processes.
Over 40 years later, driven by federal executive orders of Presidents W.J. Clinton and G.W. Bush, and
a recently enacted Twenty-First Century Nanotechnology Research and Development Act, the visionary
challenge put forth by Feynman in 1959 is well on its way to becoming a reality. As a testimonial to this
reality, the first edition of the
Handbook included broad categories of innovative nanoscience, engineering,
and technology that was emerging in the 2003 timeframe. The present 2007 second edition extends the
portfolio of innovative nano areas further, including additional chapters on textiles, nanomanufacturing,
spintronics, molecular electronics, aspects of bionanotechnology, and nanoparticles for drug delivery; as
well, this edition updates select chapters which appeared in the first edition.

ix
Acknowledgments
Dr. Brenner would like to thank his current and former colleagues for their intellectual stimulation and
personal support. Professor Brenner also wishes to thank the Office of Naval Research, the Army Research
Office, the National Science Foundation, the Air Force Office of Scientific Research, the NASA–Ames
and NASA–Langley Research Centers, and the Department of Energy for supporting his research group
over the last 13 years.
Dr. Lyshevski acknowledges the many people who contributed to this book. First, thanks go to all
contributors, to whom I would like to express my sincere gratitude. It gives me great pleasure to
acknowledge the help the editors received from many people in the preparation of this handbook. The
outstanding CRC Press team, especially Nora Konopka and Helena Redshaw, helped tremendously by
providing valuable feedback. Many thanks to all of you.
Dr. Iafrate acknowledges the career support and encouragement from colleagues, the Department of
Defense, the University of Notre Dame, and North Carolina State University.

xi
Editors
William A. Goddard, III obtained his Ph.D. in engineering science (minor in physics) from the California
Institute of Technology, Pasadena, in October 1964, after which he joined the faculty of the chemistry
department at Caltech and became a professor of theoretical chemistry in 1975. In November 1984,
Goddard was honored as the first holder of the Charles and Mary Ferkel Chair in Chemistry and Applied
Physics. He received the Badger Teaching Prize from the Chemistry and Chemical Engineering Division
for Fall 1995. Goddard is a member of the National Academy of Sciences (U.S.) and the International
Academy of Quantum Molecular Science. He was a National Science Foundation (NSF) Predoctoral
Fellow (1960–1964) and an Alfred P. Sloan Foundation Fellow (1967–1969). In 1978 he received the
Buck–Whitney Medal (for major contributions to theoretical chemistry in North America). In 1988 he received
the American Chemical Society Award for Computers in Chemistry. In 1999 he received the Feynman
Prize for Nanotechnology Theory (shared with Tahir Cagin and Yue Qi). In 2000 he received a NASA
Space Sciences Award (shared with N. Vaidehi, A. Jain, and G. Rodriquez).
He is a fellow of the American Physical Society and of the American Association for the Advancement

of Science. He is also a member of the American Chemical Society, the California Society, the California
Catalysis Society (president for 1997–1998), the Materials Research Society, and the American Vacuum
Society. He is a member of Tau Beta Pi and Sigma Xi. His activities include serving as a member of the
board of trustees of the Gordon Research Conferences (1988–1994), the Computer Science and Telecom-
munications Board of the National Research Council (1990–1993), and the Board on Chemical Science
and Technology (1980s), and a member and chairman of the board of advisors for the Chemistry Division
of the NSF (1980s).
In addition, Dr. Goddard serves or has served on the editorial boards of several journals (
Journal of
the American Chemical Society, Journal of Physical Chemistry, Chemical Physics, Catalysis Letters, Langmuir,
and Computational Materials Science). He is director of the Materials and Process Simulation Center
(MSC) of the Beckman Institute at Caltech. He was the principal investigator of an NSF Grand Challenge
Application Group (1992–1997) for developing advanced methods for quantum mechanics and molecular
dynamics simulations optimized for massively parallel computers. He was also the principal investigator
for the NSF Materials Research Group at Caltech (1985–1991). He is a cofounder (1984) of Molecular
Simulations Inc., which develops and markets state-of-the-art computer software for molecular dynamics
simulations and interactive graphics for applications to chemistry, biological, and materials sciences. He
is also a cofounder (1991) of Schrödinger, Inc., which develops and markets state-of-the-art computer
software using quantum mechanical methods for applications to chemical, biological, and materials
sciences. In 1998 he cofounded Materials Research Source LLC, dedicated to development of new
processing techniques for materials with an emphasis on nanoscale processing of semiconductors. In
2000 he cofounded BionomiX Inc., dedicated to predicting the structures and functions of all molecules
for all known gene sequences. Goddard’s research activities focus on the use of quantum mechanics and
of molecular dynamics to study reaction mechanisms in catalysis (homogeneous and heterogeneous);
xii
the chemical and electronic properties of surfaces (semiconductors, metals, ceramics, and polymers);
biochemical processes; the structural, mechanical, and thermodynamic properties of materials (semi-
conductors, metals, ceramics, and polymers); mesoscale dynamics; and materials processing. He has
published over 440 scientific articles.
Donald W. Brenner is currently a professor in the Department of Materials Science and Engineering at

North Carolina State University. He received his B.S. from the State University of New York College at
Fredonia in 1982 and his Ph.D. from Pennsylvania State University in 1987, both in chemistry. He joined
the Theoretical Chemistry Section at the United States Naval Research Laboratory as a staff scientist in
1987, and joined the North Carolina State University faculty in 1994. His research interests focus on
using atomic and mesoscale simulation and theory to understand technologically important processes
and materials. Recent research areas include first-principles predictions of the mechanical properties of
polycrystalline ceramics; crack dynamics; dynamics of nanotribology, tribochemistry and nanoindenta-
tion; simulation of the vapor deposition and surface reactivity of covalent materials; fullerene-based
materials and devices; self-assembled monolayers; simulations of shock and detonation chemistry; and
potential function development. He is also involved in the development of new cost-effective virtual-
reality technologies for engineering education. Professor Brenner's awards include the 2002 Feynman
Award for Research in Nanotechnology (theory), the Alcoa Foundation Engineering Research Achieve-
ment Award (2000), the Veridian Medal Paper (coauthor) (1999), an Outstanding Teacher Award from
the North Carolina State College of Engineering (1999),
an NSF Faculty Early Career Development Award
(1995), the Naval Research Laboratory Chemistry Division Young Investigator Award (1991), the Naval
Research Laboratory Chemistry Division Berman Award for Technical Publication (1990), and the Xerox
Award from Penn State for the best materials-related Ph.D. thesis (1987). He was the scientific cochair
for the Eighth (2000) and Ninth (2001) Foresight Conferences on Molecular Nanotechnology, and is a
member of the editorial boards for the journals
Molecular Simulation and the Journal of Computational
and Theoretical Nanoscience, as well as a member of the North Carolina State University Academy of
Outstanding Teachers.
Sergey Edward Lyshevski was born in Kiev, Ukraine. He received his M.S. (1980) and Ph.D. (1987)
degrees from Kiev Polytechnic Institute, both in electrical engineering. From 1980 to 1993, Dr. Lyshevski
held faculty positions at the Department of Electrical Engineering at Kiev Polytechnic Institute and the
Academy of Sciences of Ukraine. From 1989 to 1993, he was the Microelectronic and Electromechanical
Systems Division Head at the Academy of Sciences of Ukraine. From 1993 to 2002, he was with Purdue
School of Engineering as an associate professor of electrical and computer engineering. In 2002,
Dr. Lyshevski joined Rochester Institute of Technology as a professor of electrical engineering. Dr.

Lyshevski serves as a Full Professor Faculty Fellow at the U.S. Air Force Research Laboratories and Naval
Warfare Centers. He is the author of ten books (including
Logic Design of NanoICs, coauthored with S.
Yanushkevich and V. Shmerko, CRC Press, 2005; Nano- and Microelectromechanical Systems: Fundamen-
tals of Micro- and Nanoengineering, CRC Press, 2004; MEMS and NEMS: Systems, Devices, and Structures,
CRC Press, 2002) and is the author or coauthor of more than 300 journal articles, handbook chapters,
and regular conference papers. His current research activities are focused on molecular electronics,
molecular processing platforms, nanoengineering, cognitive systems, novel organizations/architectures,
new nanoelectronic devices, reconfigurable super-high-performance computing, and systems informat-
ics. Dr. Lyshevski has made significant contributions in the synthesis, design, application, verification,
xiii
and implementation of advanced aerospace, electronic, electromechanical, and naval systems. He has
made more than 30 invited presentations (nationally and internationally) and serves as an editor of the
CRC Press book series on
Nano- and Microscience, Engineering, Technology, and Medicine.
Gerald J. Iafrate joined the faculty of North Carolina State University in August 2001. Previously, he was
a professor at the University of Notre Dame; he also served as Associate Dean for Research in the College
of Engineering, and as director of the newly established University Center of Excellence in Nanoscience
and Technology. He has extensive experience in managing large interdisciplinary research programs.
From 1989 to 1997, Dr. Iafrate served as the director of the U.S. Army Research Office (ARO). As director,
he was the army’s key executive for the conduct of extramural research in the physical and engineering
sciences in response to Department of Defense objectives. Prior to becoming director of ARO, Dr. Iafrate
was the director of electronic devices research at the U.S. Army Electronics Technology and Devices
Laboratory (ETDL). Working with the National Science Foundation, he played a key leadership role in
establishing the first-of-its-kind army–NSF–university consortium. He is currently a research professor
of electrical and computer engineering at North Carolina State University, Raleigh, where his current
interests include quantum transport in nanostructures, spontaneous emission from Bloch electron
radiators, and molecular-scale electronics. Dr. Iafrate is a fellow of the IEEE, APS, and AAAS.

xv

Contributors
S. Adiga
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Damian G. Allis
Department of Chemistry
Syracuse University
Syracuse, NY
Narayan R. Aluru
Department of Mechanical
and Industrial Engineering
and Beckman Institute for
Advanced Science and
Technology
University of Illinois
Urbana, IL
D.A. Areshkin
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Supriyo Bandyopadhyay
Department of Electrical and
Computer Engineering
Virginia Commonwealth
University
Richmond, VA
Carola Barrera

Department of Chemical
Engineering
University of Puerto Rico-
Mayaguez
Mayaguez, Puerto Rico
R. Bashir
Birck Nanotechnology
Center
School of Electrical and
Computer Engineering
Weldon School of Biomedical
Engineering
Purdue University
West Lafayette, IN
K. Bloom
Department of Biology
University of North Carolina
Chapel Hill, NC
Youssry Botros
Intel Corporation
A.M. Bratkovsky
Hewlett-Packard Laboratories
Palo Alto, CA
Adam B. Braunschweig
California Nanosystems
Institute and the Department
of Chemistry and
Biochemistry
University of California
Los Angeles, CA

Donald W. Brenner
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Ahmed Busnaina
Northeastern University
Boston, MA
Marc Cahay
Department of Electrical and
Computer Engineering and
Computer Science
University of Cincinnati
Cincinnati, OH
Caihua Chen
Department of Electrical and
Computer Engineering
University of Delaware
Newark, DE
Saurabh Chhaparwal
College of Textiles
North Carolina State
University
Raleigh, NC
Petersen F. Curt
EM Photonics, Inc.
University of Delaware
Newark, DE
Supriyo Datta
School of Electrical and

Computer Engineering
Purdue University
West Lafayette, IN
xvi
C.W. Davis
Medicine/Cystic Fibrosis
Center
University of North
Carolina
Chapel Hill, NC
M.S. Diallo
Materials and Process
Simulation Center
Beckman Institute
California Institute of
Technology
Pasadena, CA
and Department of Civil
Engineeering
Howard University
Washington, DC
William R. Dichtel
California Nanosystems
Institute and the Department
of Chemistry and
Biochemistry
University of California
Los Angeles, CA
William Dondero
College of Textiles

North Carolina State University
Raleigh, NC
James P. Durbano
EM Photonics, Inc.
University of Delaware
Newark, DE
N. Fedorova
College of Textiles
North Carolina State University
Raleigh, NC
Richard P. Feynman
(Deceased)
California Institute of
Technology
Pasadena, CA
J.K. Fisher
Department of Biomedical
Engineering
University of North Carolina
Chapel Hill, NC
Kosmas Galatsis
Department of Electrical
Engineering
University of California
Los Angeles, CA
Tushar Ghosh
College of Textiles
North Carolina State
University
Raleigh, NC

Russell E. Gorga
College of Textiles
North Carolina State
University
Raleigh, NC
Stephen A. Habay
Department of Chemistry
University of California
Irvine, CA
Meredith L. Hans
Department of Materials
Science and Engineering
Drexel University
Philadelphia, PA
J.A. Harrison
Chemistry Department
U.S. Naval Academy
Annapolis, MD
S.A. Henderson
Starpharma Limited
Melbourne, Victoria,
Australia
Karl Hess
Beckman Institute for
Advanced Science and
Technology
and Department of Electrical
and Computer Engineering
University of Illinois
Urbana, IL

Juan P. Hinestroza
Department of Fiber Science
Cornell University
Ithaca, NY
and College of Textiles
North Carolina State
University
Raleigh, NC
Yanhong Hu
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Zushou Hu
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Michael Pycraft
Hughes
School of Engineering
University of Surrey
Guildford, Surrey, England
Dustin K. James
Department of Chemistry
Rice University
Houston, TX
Jean-Pierre Leburton
Beckman Institute for
Advanced Science and

Technology
University of Illinois
Urbana, IL
xvii
S.W. Lee
Department of Biomedical
Engineering
Yonsei University
Won-Ju, Kang-Won, Korea
Kostantin Likharev
Stony Brook University
Stony Brook, NY
Wing Kam Liu
Department of Mechanical
Engineering
Northwestern University
Evanston, IL
Anthony M. Lowman
Department of Materials
Science and Engineering
Drexel University
Philadelphia, PA
Sergey Edward
Lyshevski
Department of Electrical
Engineering
Rochester Institute of
Technology
Rochester, NY
Joshua S. Marcus

Department of Applied Physics
California Institute of
Technology
Pasadena, CA
William McMahon
Beckman Institute for Advanced
Science and Technology
University of Illinois
Urbana, IL
Paula M. Mendes
California Nanosystems
Institute and the Department
of Chemistry and
Biochemistry
University of California
Los Angeles, CA
M. Meyyappan
NASA Ames Research Center
Moffett Field, CA
Stephen Michielsen
College of Textiles
North Carolina State
University
Raleigh, NC
Vladimiro Mujica
Department of Chemistry
Northwestern University
Evanston, IL
Brian H. Northrop
California Nanosystems

Institute and the Department
of Chemistry and
Biochemistry
University of California
Los Angeles, CA
E. Timothy O’Brien
Department of Physics and
Astronomy
University of North Carolina
Chapel Hill, NC
Fernando E. Ortiz
EM Photonics, Inc.
University of Delaware
Newark, DE
Roman Ostroumov
Department of Electrical
Engineering
University of California
Los Angeles, CA
Mihri Ozkan
Department of Electrical
Engineering
University of California
Riverside, CA
Clifford W. Padgett
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Gregory N. Parsons

Department of Chemical
Engineering
North Carolina State University
Raleigh, NC
Magnus Paulsson
School of Electrical and
Computer Engineering
Purdue University
West Lafayette, IN
Wolfgang Porod
Department of Electrical
Engineering
University of Notre Dame
Notre Dame, IN
B. Pourdeyhimi
College of Textiles
North Carolina State University
Raleigh, NC
Dennis W. Prather
Department of Electrical and
Computer Engineering
University of Delaware
Newark, DE
Dong Qian
Department of Mechanical
Engineering
Northwestern University
Evanston, IL
Mark A. Ratner
Department of Chemistry

Northwestern University
Evanston, IL
xviii
Umberto Ravaioli
Beckman Institute for
Advanced Science and
Technology
University of Illinois
Urbana, IL
Carlos Rinaldi
Department of Chemical
Engineering
University of Puerto
Rico-Mayaguez
Mayaguez, Puerto Rico
Mihail C. Roco
National Science Foundation
and National Nanotechnology
Initiative
Washington, DC
Slava V. Rotkin
Physics Department
Lehigh University
Bethlehem, PA
Rodney S. Ruoff
Department of Mechanical
Engineering
Northwestern University
Evanston, IL
Melinda Satcher

Department of Fiber Science
Cornell University
Ithaca, NY
Christian E.
Schafmeister
Chemistry Department
University of Pittsburgh
Pittsburgh, PA
J.D. Schall
Department of Materials
Science and Engineering
North Carolina State University
Raleigh, NC
Ahmed S. Sharkawy
Department of Electrical and
Computer Engineering
University of Delaware
Newark, DE
Olga A. Shenderova
International Technology
Center
Research Triangle Park, NC
and Department of Materials
Science and Engineering
North Carolina State
University
Raleigh, NC
Shouyuan Shi
Department of Electrical and
Computer Engineering

University of Delaware
Newark, DE
James T. Spencer
Department of Chemistry
Syracuse University
Syracuse, NY
Deepak Srivastava
NASA Ames Research Center
Moffett Field, CA
Martin Staedele
Infineon Technologies
Corporate Research
Munich, Germany
J. Fraser Stoddart
California Nanosystems
Institute and the Department
of Chemistry and
Biochemistry
University of California
Los Angeles, CA
S.J. Stuart
Department of Chemistry
Clemson University
Clemson, SC
R. Superfine
Department of Physics
and Astronomy
University of North Carolina
Chapel Hill, NC
R.M. Taylor, II

Department of Computer
Science
University of North Carolina
Chapel Hill, NC
Todd Thorsen
Department of Mechanical
Engineering
Massachusetts Institute
of Technology
Cambridge, MA
D.A. Tomalia
Dendritic Nanotechnologies,
Inc. and Central Michigan
University
Mt. Pleasant, MI
James M. Tour
Center for Nanoscale Science
and Technology
Rice University
Houston, TX
Blair R. Tuttle
Pennsylvania State University
Behrend College
Erie, PA
Trudy van der Straaten
Beckman Institute for
Advanced Science and
Technology
University of Illinois
Urbana, IL

xix
L. Vicci
Department of Computer
Science
University of North Carolina
Chapel Hill, NC
Gregory J. Wagner
Department of Mechanical
Engineering
Northwestern University
Evanston, IL
Kang Wang
Department of Electrical
Engineering
University of California
Los Angeles, CA
Min-Feng Yu
Department of Mechanical and
Industrial Engineering
University of Illinois
Urbana, IL
Ferdows Zahid
School of Electrical and
Computer Engineering
Purdue University
West Lafayette, IN

xxi
Contents
Section 1 Nanotechnology Overview

1 There’s Plenty of Room at the Bottom: An Invitation to Enter a New
Field of Physics
Richard P. Feynman 1-1
2 Room at the Bottom, Plenty of Tyranny at the Top Karl Hess 2-1
3 National Nanotechnology Initiative — Past, Present,
Future
Mihail C. Roco 3-1
Section 2 Molecular and Nanoelectronics
4 Engineering Challenges in Molecular Electronics Gregory N. Parsons 4-1
5 Molecular Electronic Computing Architectures James M. Tour
and Dustin K. James 5-1
6 Nanoelectronic Circuit Architectures Wolfgang Porod 6-1
7 Molecular Computing and Processing
Platforms
Sergey Edward Lyshevski 7-1
8 Spin Field Effect Transistors Supriyo Bandyopadhyay and Marc Cahay 8-1
9 Electron Charge and Spin Transport in Organic and Semiconductor
Nanodevices: Moletronics and Spintronics
A.M. Bratkovsky 9-1
10 Nanoarchitectonics: Advances in Nanoelectronics Kang Wang, Kosmas
Galatsis, Roman Ostroumov, Mihri Ozkan, Kostantin Likharev, and Youssry Botros 10-1
xxii
11 Molecular Machines Brian H. Northrop, Adam B. Braunschweig,
Paula M. Mendes, William R. Dichtel, and J. Fraser Stoddart 11-1
Section 3 Molecular Electronics Devices
12 Molecular Conductance Junctions: A Theory and Modeling
Progress Report
Vladimiro Mujica and Mark A. Ratner 12-1
13 Modeling Electronics at the Nanoscale Narayan R. Aluru, Jean-Pierre Leburton,
William McMahon, Umberto Ravaioli, Slava V. Rotkin, Martin Staedele,

Trudy van der Straaten, Blair R. Tuttle, and Karl Hess 13-1
14 Resistance of a Molecule Magnus Paulsson, Ferdows Zahid, and Supriyo Datta 14-1
Section 4 Manipulation and Assembly
15 Magnetic Manipulation for the Biomedical Sciences J.K. Fisher,
L. Vicci, K. Bloom, E. Timothy O’Brien, C.W. Davis, R.M. Taylor, II, and R. Superfine 15-1
16 Nanoparticle Manipulation by Electrostatic Forces
Michael Pycraft Hughes 16-1
17 Biological- and Chemical-Mediated Self-Assembly of Artificial
Micro- and Nanostructures
S.W. Lee and R. Bashir 17-1
18 Nanostructural Architectures from Molecular Building Blocks
Damian G. Allis and James T. Spencer 18-1
19 Building Block Approaches to Nonlinear and Linear Macromolecules
Stephen A. Habay and Christian E. Schafmeister 19-1
20 Introduction to Nanomanufacturing Ahmed Busnaina 20-1
xxiii
21 Textile Nanotechnologies B. Pourdeyhimi, N. Fedorova, William Dondero,
Russell E. Gorga, Stephen Michielsen, Tushar Ghosh, Saurabh Chhaparwal, Carola Barrera,
Carlos Rinaldi, Melinda Satcher, and Juan P. Hinestroza 21-1
Section 5 Functional Structures
22 Carbon Nanotubes M. Meyyappan and Deepak Srivastava 22-1
23 Mechanics of Carbon Nanotubes Dong Qian, Gregory J. Wagner,
Wing Kam Liu, Min-Feng Yu, and Rodney S. Ruoff 23-1
24 Dendrimers — an Enabling Synthetic Science to Controlled Organic
Nanostructures
D.A. Tomalia, S.A. Henderson,
and M.S. Diallo
24-1
25 Design and Applications of Photonic Crystals Dennis W. Prather,
Ahmed S. Sharkawy, Shouyuan Shi, and Caihua Chen 25-1

26 Progress in Nanofluidics for Cell Biology Todd Thorsen
and Joshua S. Marcus 26-1
27 Carbon Nanostructures and Nanocomposites Yanhong Hu, Zushou Hu,
Clifford W. Padgett, Donald W. Brenner, and Olga A. Shenderova 27-1
28 Contributions of Molecular Modeling to Nanometer-Scale Science
and Technology
Donald W. Brenner, Olga A. Shenderova, J.D. Schall, D.A. Areshkin,
S. Adiga, J.A. Harrison, and S.J. Stuart 28-1
29 Accelerated Design Tools for Nanophotonic Devices and Applications
James P. Durbano, Ahmed S. Sharkawy, Shouyuan Shi, Fernando E. Ortiz, Petersen F. Curt,
and Dennis W. Prather 29-1
30 Nanoparticles for Drug Delivery Meredith L. Hans and Anthony M. Lowman 30-1
Index I-1