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A u t o m At i o n A n d C o n t r o l E n g i n E E r i n g S E r i E S
Modeling
and Control
for
Micro/NaNo
Devices aND
systeMs
E ditE d by
Ning Xi
Mingjun Zhang
Guangyong Li
MoDeliNg
aND coNtrol
for
Micro/NaNo
Devices aND
systeMs
E ditE d by
Ning Xi
Mingjun Zhang
Guangyong Li
Series Editors
FRANK L. LEWIS, Ph.D., SHUZHI SAM GE, Ph.D.,
Fellow IEEE, Fellow IFAC Fellow IEEE
Professor Professor
The Univeristy of Texas Research Institute Interactive Digital Media Institute
The University of Texas at Arlington The National University of Singapore
PUBLISHED TITLES
FORTHCOMING TITLES
Modeling and Control Dynamic Sensor Network,
Silvia Ferrari; Rafael Fierro; Thomas A. Wettergren
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Tengfei Liu; Zhong-Ping Jiang; David J. Hill
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Zhongkui Li; Zhisheng Duan
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Contents
Preface..................................................................................................................... vii
The Editors...............................................................................................................ix
List of Contributors.................................................................................................xi
Jun Xi
Bo Song Department of Chemistry
Department of Electrical and Drexel University
Computer Engineering Philadelphia, Pennsylvania
Michigan State University
East Lansing, Michigan Ning Xi
Department of Electrical and
Quan Tao Computer Engineering
Department of Electrical and Michigan State University
Computer Engineering East Lansing, Michigan
University of Pittsburgh and
Pittsburgh, Pennsylvania Department of Mechanical and
Biomedical Engineering
City University of Hong Kong
Tzyh-Jong Tarn Hong Kong
Center for Quantum Information
Science and Technology Ruiguo Yang
Beijing, China Department of Electrical and
and Computer Engineering
Electrical and Systems Engineering Michigan State University
Department East Lansing, Michigan
Washington University
St. Louis, Missouri Jing Zhang
Department of Automation,
Yucai Wang Tsinghua University
Department of Electrical and and
Computer Engineering Center for Quantum Information
University of Pittsburgh Science and Technology (TNLIST)
Pittsburgh, Pennsylvania Beijing, China
Mingjun Zhang
Fanan Wei Department of Mechanical,
Department of Electrical and Aerospace and Biomedical
Computer Engineering Engineering
University of Pittsburgh University of Tennessee
Pittsburgh, Pennsylvania Knoxville, Tennessee
CONTENTS
1.1 Introduction..................................................................................................... 1
1.2 Mechanism of Quantum Control.................................................................2
1.3 Modeling and Analysis of Quantum Control Systems............................. 5
1.4 Control Design Methodologies.....................................................................7
1.4.1 Open-Loop Control of Quantum Systems...................................... 7
1.4.2 Closed-Loop Control of Quantum Systems....................................9
1.5 Perspectives................................................................................................... 10
Acknowledgments................................................................................................. 11
References................................................................................................................ 11
1.1 Introduction
In his 1959 famous lecture “Plenty of Room at the Bottom” [19], Richard
Feynman considered the possibility of manipulating and controlling things
at microscopic scales in the near future. Now his prediction has become real-
ity with system assembly at the nanoscale level. When such systems are at a
sufficiently low temperature, quantum effects will appear. From a cyberneti-
cal point of view, quantum control is a very useful theory for solving relevant
problems in measurement, information transmittal, and state engineering.
What makes quantum control interesting are the nonclassical features of
quantum mechanics. Unlike the classical world, the wave–particle duality
sets no explicit boundary between particles and waves. An electromagnetic
field can be quantized into particle-like photons, and wavelike properties
such as diffraction can be observed with an atom or an electron. This makes
it possible to manipulate waves like particles or vice versa. In other words,
the essence of quantum control is to manipulate the coherence properties.
Early works on quantum control were motivated by control problems
in plasma and laser devices, nuclear accelerators, and nuclear power
plants [9–11]. In the 1980s, a serial study was casted to the modeling [46],
FIGURE 1.1
Spectrum with four different potentials: (a) potential well with finite depth, where both dis-
crete (lower horizontal lines) and continuous levels (upper shaded area) exist; (b) an infinitely
deep potential that is lower bounded; (c) an infinitely deep potential that is upper bounded.
deep (Figures 1.1b,c). The discretization of energy values is where we get the
terminology “quantum,” but it should be clarified that quantum energy levels
are not always discrete, because a continuous spectrum (see Figure 1.1a) can
exist when the energy is beyond the top of the potential.
These classically discernable levels form an orthogonal basis of the Hilbert
space on which the quantum observables operate. Any physically admissible
states can be expressed as a linear combination (with complex coefficients) of
these basis vectors. In the so-called Schrödinger picture, the coefficients rep-
resent the probability amplitude of the corresponding states. For example,
suppose a quantum system has only two energy levels, e1 and e2, then any
physical allowable state (after normalization) can be expressed as
2 2
e = c1e1 + c2e2 , c1 + c2 = 1,
where ∙c1,2∙2 represents the probability of the system staying at the state e1,2.
The phase difference between complex numbers c1 and c2 manifests the
wavelike coherence feature of the quantum system.
Any physically measurable quantity can be represented by an operator
Ô defined on the same Hilbert space, whose eigenvalues correspond to its
recognizable values by a classical observer. Its expectation value under a
quantum state ψ in the Hilbert space is calculated by the quadratic form
〈Ô〉 = ψ†Ôψ. These notations enable us to describe the famous Heisenberg
uncertainty principle,
ˆ Bˆ ≥ 1 A
A ˆ , Bˆ ,
2
(a) (b)
FIGURE 1.2
Schematics for quantum control scenarios based on field–matter interactions: (a) a two-level
atom is controlled by a coherent field, and (b) a quantum field going through a bulk optimal
medium is controlled by designed structures.
where D is the dipole operator of the quantum system and the control field
parameter E(·) is taken to be classical. When the size of the matter is com-
parable with the wavelength, a coupled Maxwell equation representing the
evolution of the field will be required.
To simplify the analysis and design, it is always desirable to separate from
the field–matter interacting system a minimal subsystem whose quantum
effects cannot be ignored, and treat the rest as a classical system. Generally,
a system has to be described by quantum mechanics if the fluctuation of the
concerned observable is comparable with the gap between the eigenvalues of
the observable. The following criteria are frequently used:
Following these rules, in the next section we introduce the general model
of quantum control systems and an analysis of its controllability properties.
where Hˆ (t) is the operator quantized from the classical Hamiltonian defined
on the Hilbert space.
Without any classical approximation, the evolution of the joint state ψtot(t)
of the controller and the system can be written as
∂ψ tot (t) ˆ
r
i
∂t
= H0 +
∑
k =1
uˆ k (t)Hˆ k ψ tot (t),
(1.3)
∂ψ (t)
r
i
∂t
= H0 +
∑
k =1
uk (t)H k ψ (t) ,
(1.4)
where ψ(t) is the quantum state of the system to be controlled. The opera-
tor H0 is the internal Hamiltonian, and Hk is the control Hamiltonian via
time-dependent control parameters uk(t). Here, the quantum system to be
controlled can be either matter or field.
∂U (t)
r
i
∂t
= H0 +
∑ u (t)H U(t) ,
k =1
k k (1.5)
where U(0) is always an identity operator (i.e., nothing is changed at the begin-
ning of control).
Controllability is referred to as the ability to steer quantum systems
between arbitrary states (or evolution operators) by varying the control in
Equations 1.3, 1.4, or 1.5. From a practical point of view, it appears that con-
trollability is not so important because not all state transitions are desired.
However, a recent study [53] revealed that the loss of controllability may
increase the complexity of finding optimal controls (i.e., search efforts)—the
more the system is controllable, the easier is the search to reach a global
optimal solution. Thus, it is warranted to delve further into the fundamental
study of controllability.
First described in the early 1980s, the controllability criterion was proposed
in terms of rank conditions of the Lie algebra generated by the system’s free
and control Hamiltonians. This was later extended to time-dependent sys-
tems [29] and systems with an infinite-dimensional controllability Lie alge-
bra generated by internal and control Hamiltonians in Equation 1.4 [54].
Recently, a geometric analysis [6] showed that a two-level system interact-
ing with a single optical mode is controllable over any finite-dimensional
subspace without rotating-wave approximation, which is crucial for under-
standing the dynamics of strongly interacting quantum systems.
The controllability of infinite-dimensional systems, in particular those
with unbounded or continuous spectrum, is extremely difficult because the
set of states accessible from a fixed initial state is at the most dense in the
Hilbert space. Therefore, the controllability will always have to be studied
in a proper domain on which the functional analysis makes sense [24,54].
The results on a finite-dimensional case are much richer. For example, for
molecular systems that can be approximated as finite dimensional, there are
many studies on controllability with respect to the dipole structure [42] and
degeneracies of the levels. With respect to the fully quantum model (1.3),
an interesting result [38] shows that the state of a two-level system can be
completely controlled by tuning the initial state of a coupled two-level sys-
tem. Controllability of general systems can be enhanced by enriching the
entanglement with the control source (or probe).
The previously mentioned studies assume that the quantum system to be
controlled can be well isolated from the environment and can be precisely
(a) (b)
Quantum Quantum
system system
Classical Quantum
controller controller
(c) (d)
FIGURE 1.3
Types of quantum control: (a) open- loop control; (b) direct coherent feedback control;
(c) measurement-based feedback control; and (d) field-mediated coherent feedback control.
Fresh Chemical
sample reaction
Control
Detection
pulse
Computer-
aided shaper
FIGURE 1.4
Schematic diagram of iterative learning control. The chemical reaction is controlled by a
shaped laser pulse that is iteratively adjusted according to the measurement result. In each
iteration, the control is performed on a fresh sample prepared at the same initial state.
feedback is much more difficult than what can be done with the control. The
trade-off between inevitable backaction and the obtained information needs
to be well understood. Nevertheless, quantum feedback control has already
become a worldwide focus, as indicated by the 2012 Nobel Prize in physics
awarded to Haroche and Wineland [23,41].
Measurement-based feedback control strategies can be further divided into
two classes. The first is Markovian quantum feedback developed by H. M.
Wiseman and G. J. Milburn [50], where quantum continuous weak measure-
ment is adopted for feedback. With an idea learned from the quantum trajec-
tory theory developed in quantum optics, the backaction of the measurement
on the system is modeled as classical noise (either discontinuous jump noise
or continuous Wiener white noise) that disturbs the system dynamics. The
other approach is the Bayesian feedback control, initially proposed by A. C.
Doherty [18], where the control strategy is determined based on the esti-
mated state from the measurement output. The estimator is also called a
“quantum filter” [2]. In principle, Bayesian feedback may outperform the
Markovian feedback because more information extracted from the measure-
ment history can be used to determine the control.
In addition to the backaction, the measurement-based feedback approaches
are mainly limited by the time scale of quantum dynamics, which is often
too fast to be followed by a classical controller. Regarding these difficulties,
coherent feedback strategies have received much attention in recent years. As
proposed by S. Lloyd [30], the simplest way to introduce coherent feedback is
to couple directly the controlled quantum system to the quantum controller
(Figure 1.3b). An alternative approach that is closer to measurement-based
feedback control is field-mediated coherent feedback, where the quantum
signal is carried by an intermediate field from the system to the controller
(Figure 1.3d). This approach [21,25] was based on the quantum descrip-
tion of input–output theory developed by Gardiner et al. [20] in the 1980s.
Compared with measurement-based feedback, the coherent feedback loop
is more easily realized in experiments, thereby making it more suitable for
scalable control circuits in future applications.
1.5 Perspectives
Quantum control is a developing field that is open to studies in various
areas. Limited by fundamental experimental technologies for manipulating
and observing quantum phenomena, experimental application of quantum
control is still in its infancy except for the case of learning control. The fusion
of control theory and quantum physics calls for collaborations between
physicists and engineers. In the past decade, the gap between physicists
and engineers has been greatly reduced, along with the rapidly developing
experimental technologies and emerging common interests. There will be,
undoubtedly, tremendous research opportunities for engineers in nanotech-
nology in the next decades.
Acknowledgments
The authors acknowledge support from NSFC (No.60904034, 61134008,
61174084) and the Tsinghua National Laboratory for Information Science and
Technology (TNList) Cross-Discipline Foundation.
References
1. Bandrauk, A., Delfour, M., and Bris, C.L. (eds.). Quantum control: Mathematical
and numerical challenges, CRM Proceedings and Lecture Notes, vol. 33. American
Mathematical Society, Providence (2003).
2. Belavkin, V. Optimal quantum filtration of Markovian signals. Problems of
Information Transmission 7(5), 1–14 (1978).
3. Belavkin, V. and Grishanin, B. Optimum estimation in quantum channels by the
generalized Heisenberg inequality method. Problems of Information Transmission
9(3), 209–215 (1972).
4. Belavkin, V. and Grishanin, B. Optimum measurement of quantum variables.
Problems of Information Transmission 8(3), 259–265 (1972).
5. Bergmann, K., Theuer, H., and Shore, B.W. Coherent population transfer among
quantum states of atoms and molecules. Reviews of Modern Physics 70, 1003–1025
(1998).
6. Bloch, A., Brockett, R., and Rangan, C. Finite controllability of infinite-
dimensional quantum systems. IEEE Transactions on Automated Control 55(8),
1797–1805 (2010).
7. Brif, C., Chakrabarti, R., and Rabitz, H. Control of quantum phenomena: Past,
present, and future. New Journal of Physics 12, 075,008 (2010).
8. Buluta, I., Ashhab, S., and Nori, F. Natural and artificial atoms for quantum
computation. Reports on Progress in Physics 74(10), 104,401 (2011). DOI 10.1088/
0034-4885/74/10/104401.
9. Butkovskii, A. and Pustyl’nikova, E. Controlling the coherent states of a quan-
tum oscillator. Automation and Remote Control 43, 1393–1398 (1982).
10. Butkovskii, A. and Pustyl’nikova, E. Control of coherent states of quantum sys-
tems with a quadratic Hamiltonian. Automation and Remote Control 45, 1000–1008
(1984).
11. Butkovskii, A. and Samoilenko, Y. Control of quantum-mechanical processes
and systems, Mathematics and Its Applications, vol. 56. Kluwer Academic Publishers,
Boston (1990).
12. Chelkowski, S. and Bandrauk, A.D. Raman chirped adiabatic passage: A new
method for selective excitation of high vibrational states. Journal of Raman
Spectroscopy 28(6), 459–466 (1997).
13. Clark, J., Ong, C., Tarn, T.J., and Huang, G.M. Quantum nondemolition filters.
Mathematical Systems Theory 18, 33–55 (1985).
14. Clausen, J., Bensky, G., and Kurizki, G. Bath-optimized minimal-energy pro-
tection of quantum operations from decoherence. Physical Review Letters 104(4)
(2010). DOI 10.1103/PhysRevLett.104.040401.
15. D’Alessandro, D. Optimal control of two level quantum systems. IEEE
Transactions on Automatic Control 46, 866–876 (2001).
16. D’Alessandro, D. Introduction to Quantum Control and Dynamics. Chapman &
Hall/CRC, Boca Raton (2008).
17. Daoyi, D. and Petersen, I. Quantum control theory and applications: A survey.
IET Control Theory and Applications 4(12), 2651–2671 (2010).
18. Doherty, A.C., Habib, S., Jacobs, K., Mabuchi, H., and Tan, S.M. Quantum feed-
back control and classical control theory. Physical Review A 62, 012,105 (2000).
19. Feynman, R. There’s plenty of room at the bottom. Annual Meeting of the
American Physical Society, California Institute of Technology, Pasadena, CA
(December 29, 1959).
20. Gardiner, C.W. and Collett, M.J. Input and output in damped quantum systems:
Quantum stochastic differential equations and the master equation. Physical
Review A 31, 3761–3774 (1985).
21. Gough, J. and James, M. The series product and its application to quantum feed-
forward and feedback networks. IEEE Transactions on Automatic Control 54(11),
2530–2544 (2009).
22. Grigorenko, I. and Rabitz, H. Optimal control of the local electromagnetic
response of nanostructured materials: Optimal detectors and quantum dis-
guises. Applied Physics Letters 94(25), 253107 (2009).
23. Hinds, E. and Blatt, R. Nobel 2012 physics: Manipulating individual quantum
systems. Nature 492(7427), 55 (2012).
24. Huang, G.M., Tarn, T.J., and Clark, J.W. On the controllability of quantum-
mechanical systems. Journal of Mathematical Physics 24, 2608–2618 (1983).
25. James, M., Nurdin, H., and Petersen, I. Control of linear quantum stochastic
systems. IEEE Transactions on Automatic Control 53(8), 1787–1803 (2008).
26. Judson, R. and Rabitz, H. Teaching lasers to control molecules. Physical Review
Letters 68, 1500 (1992).
27. Khaneja, N., Brockett, R., and Glaser, S. Time optimal control in spin systems.
Physical Review A 63(3), 032,308 (2001).
28. Khaneja, N., Reiss, T., Kehlet, C., Schulte- Herbrüggen, T., and Glaser, S.J.
Optimal control of coupled spin dynamics: Design of NMR pulse sequences by
gradient ascent algorithms. Journal of Magnetic Resonance 172, 296–305 (2005).
29. Lan, C., Tarn, T.J., Chi, Q.S., and Clark, J.W. Analytic controllability of time-
dependent quantum control systems. Journal of Mathematical Physics 46(5),
052102 (2005).
30. Lloyd, S. Coherent quantum feedback. Physical Review A 62, 022,108 (2000).
31. Ong, C., Huang, G., Tarn, T., and Clark, J. Invertibility of quantum-mechanical
control systems. Mathematical Systems Theory 17(4), 335–350 (1984).
32. Palao, J.P. and Kosloff, R. Quantum computing by an optimal control algorithm
for unitary transformations. Physical Review Letters 89, 188,301 (2002).
33. Peirce, A., Dahleh, M., and Rabitz, H. Optimal control of quantum-mechanical
systems: Existence, numerical approximation, and applications. Physical Review A
37, 4950–4964 (1988).
34. Rabitz, H., Hsieh, M., and Rosenthal, C. Quantum optimally controlled transi-
tion landscapes. Science 303(5666), 1998–2001 (2004).
35. Rabitz, H., Hsieh, M., and Rosenthal, C. The landscape for optimal control of
quantum- mechanical unitary transformations. Physical Review A 72, 52,337
(2005).
36. Rabitz, H., de Vivie-Riedle, R., Motzkus, M., and Kompa, K. Whither the future
of controlling quantum pheonomena? Science 288, 824–828 (2000).
37. Rice, S. and Zhao, M. Optical Control of Molecular Dynamics. John Wiley & Sons,
New York (2000).
38. Romano, R. and D’Alessandro, D. Environment-mediated control of a quantum
system. Physical Review Letters 97, 080,402 (2006).
39. Rothman, A., Ho, T.S., and Rabitz, H. Observable-preserving control of quan-
tum dynamics over a family of related systems. Physical Review A 72(2), 023416
(2005).
40. Rothman, A., Ho, T.S., and Rabitz, H. Quantum observable homotopy tracking
control. Journal of Chemical Physics 123(13), 134104 (2005).
41. Sayrin, C., Dotsenko, I., Zhou, X., Peaudecerf, B., Rybarczyk, T., Gleyzes, S.,
Rouchon, P., Mirrahimi, M., Amini, H., Brune, M., Raimond, J.M., and Haroche,
S. Real-time quantum feedback prepares and stabilizes photon number states.
Nature 477(7362), 73–77 (2011).
42. Schirmer, S.G., Fu, H., and Solomon, A.I. Complete controllability of quantum
systems. Physical Review A 63(6), 063,410 (2001).
43. Shapiro, M. and Brumer, P. Principles of the Quantum Control of Molecular Processes.
Wiley-Interscience, Hoboken (2003).
44. Shir, O., Beltrani, V., Bäck, Th., Rabitz, H., and Vrakking, M. On the diversity
of multiple optimal controls for quantum systems. Journal of Physics B 41(7),
074,021 (2008).
45. Tannor, D., Kosloff, R., and Rice, S. Coherent pulse sequence induced control
of selectivity of reactions: Exact quantum mechanical calculations. Journal of
Chemical Physics 85(10), 5805–5820 (1986).
46. Tarn, T.J., Huang, G.M., and Clark, J. Modelling of quantum mechanical control
systems. Mathematical Modelling 1, 109–121 (1980).
47. Vandersypen, L. and Chuang, I. NMR techniques for quantum control and com-
putation. Reviews of Modern Physics 76(4), 1037–1069 (2004).
48. Viola, L. and Lloyd, S. Dynamical suppression of decoherence in two-state
quantum systems. Physical Review A 58(4), 2733–2744 (1998). DOI 10.1103/
PhysRevA.58.2733.
49. Warren, W., Rabitz, H., and Dahleh, M. Coherent control of quantum dynamics:
The dream is alive. Science 259, 1581–1588 (1993).
50. Wiseman, H. Quantum Measurement and Control. Cambridge University Press,
Cambridge (2010).
51. Wu, R., Pechen, A., Rabitz, H., Hsieh, M., and Tsou, B. Control landscapes for
observable preparation with open quantum systems. Journal of Mathematical
Physics 49, 022,108 (2008).
52. Wu, R., Rabitz, H., and Hsieh, M. Characterization of the critical submanifolds
in quantum ensemble control landscapes. Journal of Physics A 41, 015,006 (2008).
53. Wu, R.B., Hsieh, M.A., and Rabitz, H. Role of controllability in optimizing quan-
tum dynamics. Physical Review A 83, 062,306 (2011).
54. Wu, R.B., Tarn, T.J., and Li, C.W. Smooth controllability of infinite-dimensional
quantum-mechanical systems. Physical Review A 73, 012,719 (2006).
55. Zhang, J., Li, C.W., Wu, R.B., Tarn, T.J., and Liu, X.S. Maximal suppression of
decoherence in Markovian quantum systems. Journal of Physics A: Mathematical
and General 38(29), 6587 (2005).
CONTENTS
2.1 Introduction................................................................................................... 15
2.2 The Basics of SiNW-Based FET Biosensors............................................... 16
2.3 Theoretical Approaches............................................................................... 18
2.4 Simulation Results and Discussions..........................................................22
2.4.1 Surface Potential on SiNW..............................................................22
2.4.2 I-V Characteristics of SiNW FET Biosensors................................ 23
2.4.3 Sensitivity Analysis.......................................................................... 24
2.4.4 Discussion.......................................................................................... 26
2.5 Conclusions and Perspectives..................................................................... 27
References................................................................................................................ 28
2.1 Introduction
Quasi- one-
dimensional semiconducting nanowires are considered the
best candidates among transducer elements for biosensing because of their
appealing characteristics such as high sensitivity due to the quantum con-
finement and the large surface-to-volume ratio, high stability due to the crys-
tal structure, and potential to be configured as field-effect transistors (FETs).
Several pioneering studies have demonstrated the success of direct electri-
cal detection of biological macromolecules using carbon nanotubes [1–3],
semiconducting nanowires [4–9], and conducting polymer nanofilaments
[10,11]. Among these biosensors, silicon nanowire (SiNW)-based biosen-
sors (Figure 2.1) are considered promising label-free biomolecule detectors
because of their compatibility with microelectronics and their great stability
in liquid condition. Label-free SiNW-based biosensors configured as FETs
can detect the target/receptor binding events that affect the local chemical
potential on the surface of nanowires. The local potential on the surface of
nanowires effectively works as a “gating” voltage that modulates the source
(S) to drain (D) current.
Biomarkers
Antibody
S SiNW D
Insulating Substrate
FIGURE 2.1
SiNW biosensor configured as an FET, where the gating voltage comes from the biomarkers.
UG
Z(nm)
Electrolyte
SiNW
Source Drain
SiO2
UBG
(a)
Biotin Streptavidin
A
P
SiO2 SiNW SiO2 T
UBG E Electrolyte UG
S
Z(nm)
1 101 d 1 1 1 5 94 1
(b)
FIGURE 2.2
(a) General schematic of SiNW FET biosensor for detection of biotin/streptavidin binding. The
surface of SiNW is functionalized with receptors (Y) for target biomolecules (flower). (b) Cross-
section of SiNW FET biosensor for detection of biotin/streptavidin binding between the source
and drain region along the z axis. On the surface of SiNWs there is a native oxide that is cova-
lently bound to a layer of APTES molecules, and biotin molecules are chemically attached to
the APTES surface. The biosensor is immersed in aqueous solution to detect streptavidin in the
solution. The numbers denote the dimensions of various layers along the z axis.
the receptor molecules on the silicon oxide surface. Many biomolecules carry
charges under normal physiological conditions. For example, DNA carries
negative charges, whereas the net charges of protein depend on the pH value
of the electrolyte. The charges of the bound target molecules interact with the
charge in the SiNW and modulate the conductance of the SiNW. The changes
of the SiNW conductance can be used to measure the concentration of the
target molecules in the buffer solution, and thus derive the original concen-
tration of the target molecules in the source sample.
Biotin molecules cannot be directly immobilized on the silicon oxide sur-
face. A layer of aminopropyltriethoxysilane (APTES) molecules is covalently
bound to the silicon oxide surface, and biotin molecules (receptor molecules)
are chemically attached to the APTES surface. Streptavidin molecules in
2.3 Theoretical Approaches
To detect the biotin/streptavidin binding in the electrolyte, generally two
states of the SiNW FET biosensor should be simulated. In the first state, only
the receptor molecules (biotin) are attached to the APTES layer surface. In the
second state, the target biomolecules (streptavidin) are attached to the biotin
surface due to specific binding. The change of charge distribution arising
from the biotin/streptavidin binding modulates the electrostatic potential
on the silicon oxide surface of the SiNW, and hence modulates charge dis-
tribution inside the SiNW core. As a consequence, the current flows in the
SiNW will be changed accordingly. The I-V characteristics of the SiNW can
be examined to determine the sensitivity of the biosensor.
Using the drift-diffusion charge transport model, the carrier transport in
the SiNW core can be written as [15]
where εSi is the dielectric constant of silicon, r is the spatial coordinate, and
ND and NA are the donor and acceptor concentrations within the SiNW,
respectively. Here we assume the dopants are completely ionized.
In the silicon oxide layer, we assume that there is no defect in the native
oxide and neglect any interface traps and fixed oxide charges. The electro-
static potential in the silicon oxide is given by Poisson’s equation,
−∇ ( εOx∇Φ(r )) = 0 (2.3)
−∇ ( ε APTES∇Φ(r )) = 0 (2.4)
where ρfixed is the charge density in the biotin layer and the bounded strepta-
vidin molecules, and ρmobile is the charge density of mobile ions in the electro-
lyte, which accounts for the Debye screening effect. The dielectric constant
of electrolyte is shown as εr. The fixed charge density ρfixed can be modeled
using the delta function,
ρ fixed = q ∑ z δ(r − r )
i
i i (2.6)
where N is the number of fixed charges present, zi and ri are their charges
and positions, and δ(r) is the Dirac delta function. The distribution of mobile
charge density ρmobile can be described using the Boltzmann distribution,
N ions
− qz j Φ
ρmobile = ∑ qz n
j
j ∞ exp
K BT
(2.7)
where Nions is the number of the mobile ions, zj is the charge of the ion, n∞
is the concentration of the ions at a distance of infinity from the solute, and
Φ is the electrical potential. KB is Boltzmann’s constant, and T is the abso-
lute temperature.
For the special case of a 1–1 electrolyte (e.g., Na+–Cl–) with bulk concentra-
tion n, ρmobile can be written as [17]
K BT qΦ
ρmobile = − ε r κ 2 sinh (2.8)
q K BT
where
2 n∞ q 2
κ= (2.9)
K BTε r ε 0
102
Debye Screening Length [nm]
101
100
10–1
0.1 1 10 100 1000
NaCl Concentration [M]
FIGURE 2.3
Debye screening lengths versus different NaCl concentrations.
TABLE 2.1
Debye Screening Lengths versus Different
NaCl Concentrations
NaCl Concentration Debye Screening Length (nm)
0.1 mM 30.79
1 mM 9.74
10 mM 3.08
100 mM 0.97
1M 0.31
1 mM SiNW
10 mM
Source 100 mM Drain
SiO2
FIGURE 2.4
Debye screening scheme (the distance is not to scale).
[A − ] α
pH = pK a + log 10 = pK a + log 10 (2.10)
[HA] 1-α
where α is the fractional dissociation of any ionizable group [18] and pKa is
the acid dissociation constant. In the charge determination procedure [19],
the pKa for each type of ionizable group is assigned a magnitude. Knowledge
of the amino acid sequence (or composition) of a protein is then used to cal-
culate the net charge. The protein net charge arising from ni ionizable groups
of type i, (ZP)i, is given by [18]
(Zp )i = ni zi (1 − α i ) (2.12)
if the ionizable group, i, is cationic (zi is positive). The pKa value of biotin is 4.66
[20], so at pH = 7, each biotin molecule carries a net charge of α = 1/(1+104.66–7)
≈ –1q. This result coincides with the experimental result in Reference 21.
The net charge of streptavidin is contributed by terminal amino acids and
charged amino acid side-chains within the protein sequence [22]. It can be
determined by computer programs given the protein sequence data and a
set of pKa values for proton dissociation from ionizable groups [19]. A web-
based server H++ [23,24] can be used to calculate the net charge of strepta-
vidin. Given atomic resolution Protein Data Bank (PDB) structures, H++ can
perform a quick estimate of pKa values as well as the protein net charge at a
specific pH value. At a pH value of 7, the calculated net charge for a strep-
tavidin molecule is +9q (9 positive elementary charges) and –q (1 negative
elementary charge) for a biotin molecule. Based on the net charge of biotin
and streptavidin molecules, along with the dimension information of the
SiNW, we can estimate the interface charge density ρ within the biotin layer
before and after the binding of streptavidin molecules.
on only the distance z from the membrane surface. For our SiNW FET bio-
sensor, the electrostatic potential is dependent on only the distance r from
the APTES molecules layer along the radius direction of the SiNW. Thus, it
is feasible to use nextnano3 to solve the NPBE for our SiNW FET biosensor.
And the critical step is to calculate the interface charge density ρ, that is, the
charge density in the biotin layer before and after the binding of streptavi-
din molecules.
Nextnano3 needs the following parameters to calculate the electrostatic
potential in the electrolyte, APTES molecules layer, and silicon oxide layer:
the dimension information of various layers and the electrolyte, the dop-
ing density of the SiNW, the ion (NaCl) concentration of the electrolyte, the
interface charge density ρ, and the voltages applied on electrodes UBG and
UG. The dimension information on various layers and electrolyte is shown
in Figure 2.2b. The interface charge density ρ can be calculated using the
dimension information and the net charge of biotin/streptavidin. The volt-
ages applied on electrodes UBG and UG are set to zero. Now we are ready to
calculate the electrostatic potential corresponding to different SiNW diam-
eters, doping densities, and ions concentrations of the electrolyte.
The APTES surface potential change ΔΦs is defined as
0
0 1 2 3 4 5 6 7 8 9 10
Number of Bound Streptavidin Molecules
FIGURE 2.5
Change of silicon oxide surface potential versus number of streptavidin molecules bound.
surface voltage change, the reference voltage on the silicon oxide surface
(the initial gate voltage for the SiNW FET) is around 0.4V. Binding of the
streptavidin molecules leads to the gate voltage change of several millivolts.
It is important to find a proper drain voltage to make the SiNW FET work
at a point that is very sensitive to the gate voltage change, that is, a small
change in the gate voltage will lead to a big change in the drain current so
that the drain current change is appreciable.
We calculate the I- V characteristics for three different gate voltages
(Vg = 0.40V, 0.41V, 0.42V; these values are chosen because the reference volt-
age is about 0.4 V) while keeping the following parameters constant: SiNW
diameter d = 10 nm, channel doping density p = 1015 cm–3. The calculated I-V
characteristic is shown in Figure 2.6. As can be seen, when the drain volt-
age is small, the SiNW FET works in the linear region and the drain current
change for different gate voltages is very small. When the drain voltage is
large enough, the SiNW FET works in the saturation region and the drain
current change for the different gate voltage is distinct. Thus, the SiNW FET
should work in the saturation region to have a good sensitivity for the gate
voltage change. In the remaining simulations, we will fix the drain voltage as
1 V to make sure the SiNW FET work in the saturation region.
2.4.3 Sensitivity Analysis
We define the drain current change for different silicon oxide surface poten-
tials (gate voltages) as
I d (n) − I dref
∆I d = × 100% (2.14)
I dref
×10–5
2
1.8
1.6
1.4
Drain Current [A]
1.2
0.8
0.6
0.4 Vg = 0.42 V
Vg = 0.41 V
0.2 Vg = 0.40 V
0
0 0.2 0.4 0.6 0.8 1 1.2
Drain Voltage [V]
FIGURE 2.6
The I-V characteristics for different gate voltages.
2.5 2.5
NaCl = 10 mM L = 50 nm
Drain Current Change [%]
1 1
0.5 0.5
0 0
0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8
Number of Bound Streptavidin Molecules Number of Bound Streptavidin Molecules
(a) (b)
2.5 3
d = 10 nm
Drain Current Change [%]
2.5 p = 10e15
2 d = 12 nm p = 10e16
d = 14 nm
2 p = 10e17
1.5
1.5
1
1
0.5 0.5
0 0
0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8
Number of Bound Streptavidin Molecules Number of Bound Streptavidin Molecules
(c) (d)
FIGURE 2.7
Drain current change versus number of streptavidin molecules bound for different NaCl con-
centrations: (a), nanowire length, (b), nanowire diameter, (c), and doping level (d).
justifiable since for thinner SiNW, the gate voltage has better control over the
conducting channel inside the SiNW.
The influence of doping levels on the sensitivity of the SiNW FET biosen-
sor is investigated while keeping the following parameters constant: SiNW
diameter d = 10 nm, length L = 50 nm, and the NaCl concentration in the
electrolyte is 10 mM. Three different doping levels (p = 1015 cm–3, 1016 cm–3,
and 1017 cm–3) are investigated, and the results are shown in Figure 2.7d. As
can be seen, SiNW with higher doping levels shows higher sensitivity.
2.4.4 Discussion
From the above analysis, we can conclude that SiNW with a shorter length,
smaller diameter, higher doping level, and with lower NaCl concentration in
the electrolyte has higher sensitivity. When these parameters are properly
chosen, it is possible to achieve single streptavidin molecule detection. The
following parameters are chosen for a SiNW FET biosensor: SiNW diam-
eter d = 10 nm, length L = 50 nm, doping level p = 1015 cm–3, and the NaCl
×10–5
1.6
1.55
Drain Current [A]
1.5
1.45
1.4
0 1 2 3 4 5 6 7 8
Number of Bound Streptavidin Molecules
FIGURE 2.8
Drain current versus number of streptavidin molecules bound.
References
1. K. Besteman, J.-O. Lee, F. G. M. Wiertz, H. A. Heering, and C. Dekker, “Enzyme-
coated carbon nanotubes as single-molecule biosensors,” Nano Letters, vol. 3,
no. 6, pp. 727–730, 2003.
2. A. Star, E. Tu, J. Niemann, J.-C. P. Gabriel, C. S. Joiner, and C. Valcke, “Label-
free detection of DNA hybridization using carbon nanotube network field-effect
transistors,” Proceedings of the National Academy of Sciences of the United States of
America, vol. 103, no. 4, pp. 921–926, 2006.
3. K. Maehashi, T. Katsura, K. Kerman, Y. Takamura, K. Matsumoto, and E. Tamiya,
“Label- free protein biosensor based on aptamer- modified carbon nanotube
field-effect transistors,” Analytical Chemistry, vol. 79, no. 2, pp. 782–787, 2006.
4. Y. Cui, Q. Wei, H. Park, and C. M. Lieber, “Nanowire nanosensors for highly
sensitive and selective detection of biological and chemical species,” Science,
vol. 293, no. 5533, pp. 1289–1292, 2001.
5. J.-i. Hahm, and C. M. Lieber, “Direct ultrasensitive electrical detection of DNA
and DNA sequence variations using nanowire nanosensors,” Nano Letters,
vol. 4, no. 1, pp. 51–54, 2004.
6. F. Patolsky, G. Zheng, O. Hayden, M. Lakadamyali, X. Zhuang, and C. M. Lieber,
“Electrical detection of single viruses,” Proceedings of the National Academy of
Sciences of the United States of America, vol. 101, no. 39, pp. 14017–14022, 2004.
CONTENTS
3.1 Introduction................................................................................................... 31
3.2 Fundamentals of Organic Photovoltaic Cells........................................... 32
3.3 Optical Modeling.......................................................................................... 35
3.4 Electrical Modeling and Simulation by Drift-Diffusion Model............. 40
3.4 Electrical Modeling and Simulation by Monte Carlo Model.................. 45
3.5 Discussion and Conclusion......................................................................... 49
References................................................................................................................ 51
3.1 Introduction
Organic photovoltaic cells have great potential to enable mass production
with extremely low cost. The power conversion efficiency of organic photo-
voltaic cells has improved rapidly in the past few years, exceeding 5% in 2005
[1,2] and 9.8% in 2012 [3]. But it is still low compared to other traditional solar
cells. The relatively low efficiency is rooted in the low dielectric constants
of organic semiconductors, in which tightly bonded electron– hole pairs
(excitons) instead of free electron–hole pairs are formed after light absorp-
tion [4]. The exciton can be efficiently separated only into a free electron and
hole at the interface between the donor and acceptor materials by the built-in
potential, arising from the offset of Fermi levels between donor and accep-
tor materials. Because the exciton diffusion length of organic semiconduc-
tors is very short (about 10 nm [5]), only excitons created within 10 nm from
the donor–acceptor (D–A) interface can be dissociated; all others decay to
ground states.
The major milestone of organic photovoltaic cells was the introduction of
bulk heterojunction (BHJ) configuration (Figure 3.1) reported in 1995 [6]. In
BHJ configuration, the donor and acceptor materials are blended together
to form phase- separated nanostructures (nanoscale morphology). The
nanoscale morphology of the disordered bulk heterojunctions plays a critical
Electron Acceptor
+ –
Hole Donor
Cathode
Electron
Blocking Layer
Anode
Glass Substrate
FIGURE 3.1
Configuration of organic photovoltaic cells made from BHJs.
Ibid. 195:
‘At Paske began our Morrise, and ere Penticost our May.’
[571] Flores Historiarum (R. S.), iii. 130 ‘aestimo quod rex
aestivalis sis; forsitan hyemalis non eris.’
[572] Cf. Appendix E.
[573] ‘King-play’ at Reading (Reading St. Giles Accounts in
Brand-Hazlitt, i. 157; Kerry, Hist. of St. Lawrence, Reading,
226).
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