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All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

The Way to the Future Has Already Started: ICAO Aeronautical Telecommunication Network (ATN) Using Internet Protocol Suite (IPS) Standards and Protocol Evolution Update

Millions of people are able to exchange information over phones, computers, tablets and an array of new interconnected devices such as sensors, cameras, home appliances and others are increasingly becoming networked. At the core of this sizeable interconnection is a set of underlying protocols that enable millions of devices to seamlessly talk to each other. Aviation, as many other industries have, utilizes the internet protocol for ground-to-ground network communications and efforts are underway to bring it to the cockpit.In 2015, the International Civil Aviation Organization (ICAO) published the second edition of Document 9896 (Doc 9896) titled: Manual on the Aeronautical Telecommunication Network (ATN) using Internet Protocol Suite (IPS) Standards and Protocol. This manual adopted the Internet protocol version 6 (IPv6) for Internet layer interoperability. Document 9896 defined data communications protocols and services to be used for implementing aeronautical telecommunication network (ATN) using the Internet protocol suite (IPS). The document provided technical specifications that addressed security, network and transport protocols, described applications, supported by ATN/IPS and provided communications guidance. The international aviation community working under the guidance of ICAO initiated work on updates to Doc 9896. Under the ICAO Communication Panel, Working Group Internetworking (WG-I) got this challenging task. Key areas of work for WG-I are related to ATN/IPS Security and ANT/IPS Mobility. Two sub-groups have been assembled to work on these elements. The ICAO anticipates the release of updated Doc 9896 in 2020. Additional ATN/IPS standardization efforts include Radio Technical Commission for Aeronautics Special Committee 223 (RTCA SC-223) IPS profile development, Airlines Electronic Engineering Committee (AEEC) A658 Roadmap of IPS future activities and European Organization for Civil Aviation Equipment (EUROCAE) WG-108 development of guidance documentation.This paper describes ICAO WG-I approach to update key areas of the document in closed coordination with AEEC, RTCA and EUROCAE committees supporting the development of ATN/IPS. Additionally, the paper will explore WG-I mobility solutions under investigation, security developments, IPv6 addressing challenges and other proposed updates. Finally, as new operational expectations such as Free Route and Remote Piloted Aircraft System integration are currently pushing the boundaries set by old operational concepts, the paper identifies the emerging new challenges that will drive the ATN/IPS development beyond 2020. They are related to future voice utilization, System Wide Information Management and Remotely Piloted Aircraft System deployment. IPS systems are seen as the only way forward.

Apaza, Rafael↗
NASA NTRS2004

Field Effect Transistor Behavior in Electrospun Polyaniline/Polyethylene Oxide Demonstrated

Novel transistors and logic devices based on nanotechnology concepts are under intense development. The potential for ultra-low-power circuitry makes nanotechnology attractive for applications such as digital electronics and sensors. For NASA applications, nanotechnology offers tremendous opportunities for increased onboard data processing, and thus autonomous decisionmaking ability, and novel sensors that detect and respond to environmental stimuli with little oversight requirements. Polyaniline/polyethylene oxide (PANi/PEO) nanofibers are of interest because they have electrical conductivities that can be changed from insulating to metallic by varying the doping levels and conformations of the polymer chain. At the NASA Glenn Research Center, we have observed field effect transistor (FET) behavior in electrospun PANi/PEO nanofibers doped with camphorsulfonic acid. The nanofibers were deposited onto Au electrodes, which had been prepatterned onto oxidized silicon substrates. The preceding scanning electron image shows the device used in the transistor measurements. Saturation channel currents are observed at surprisingly low source/drain voltages (see the following graph). The hole mobility in the depletion regime is 1.4x10(exp -4)sq cm/V sec, whereas the one-dimensional charge density (at zero gate bias) is calculated to be approximately 1 hole per 50 two-ring repeat units of polyaniline, consistent with the rather high channel conductivity (approx.10(exp -3) S/cm). Reducing or eliminating the PEO content in the fiber is expected to enhance device parameters. Electrospinning is thus proposed as a simple method of fabricating one-dimensional polymer FET's.

Mueller, Carl H.↗
NASA NTRS1980

Solar hot water system installed at Mobile, Alabama

The system consists of six rows of ten collectors and three rows of eleven collectors (1990 square feet) mounted on the roof. Griswald flow control valves were installed to regulate the flow to each row. Two Heliotrope electronic thermometers with a combined capability of measuring the temperatures of 22 different locations were installed for monitoring purposes.

Source record↗
NASA NTRS2013

A Multi-Purpose Modular Electronics Integration Node for Exploration Extravehicular Activity

As NASA works to develop an effective integrated portable life support system design for exploration Extravehicular activity (EVA), alternatives to the current system s electrical power and control architecture are needed to support new requirements for flexibility, maintainability, reliability, and reduced mass and volume. Experience with the current Extravehicular Mobility Unit (EMU) has demonstrated that the current architecture, based in a central power supply, monitoring and control unit, with dedicated analog wiring harness connections to active components in the system has a significant impact on system packaging and seriously constrains design flexibility in adapting to component obsolescence and changing system needs over time. An alternative architecture based in the use of a digital data bus offers possible wiring harness and system power savings, but risks significant penalties in component complexity and cost. A hybrid architecture that relies on a set of electronic and power interface nodes serving functional models within the Portable Life Support System (PLSS) is proposed to minimize both packaging and component level penalties. A common interface node hardware design can further reduce penalties by reducing the nonrecurring development costs, making miniaturization more practical, maximizing opportunities for maturation and reliability growth, providing enhanced fault tolerance, and providing stable design interfaces for system components and a central control. Adaptation to varying specific module requirements can be achieved with modest changes in firmware code within the module. A preliminary design effort has developed a common set of hardware interface requirements and functional capabilities for such a node based on anticipated modules comprising an exploration PLSS, and a prototype node has been designed assembled, programmed, and tested. One instance of such a node has been adapted to support testing the swingbed carbon dioxide and humidity control element in NASA s advanced PLSS 2.0 test article. This paper will describe the common interface node design concept, results of the prototype development and test effort, and plans for use in NASA PLSS 2.0 integrated tests.

Hodgson, Edward↗
NASA NTRS1972

Ion-molecule collision frequencies in gases determined by phase coherent pulsed ICR.

The transient method considered is analogous to similar phase coherence experiments performed in NMR and plasma physics. Using a pulsed ion cyclotron resonance (ICR) spectrometer equipped with a trapped ion analyzer cell, gaseous ions are formed by a pulse of an electron beam and then trapped in the cell by the combined effects of the magnetic and electrostatic fields. The results obtained in the experiments indicate that the classical mobility treatment of Wannier (1953) is helpful in the understanding of collision frequencies under the considered conditions.

Lieder, C. A.↗
NASA NTRS1980

Direct /TEM/ observation of the catalytic oxidation of amorphous carbon by Pd particles

The catalytic oxidation of amorphous carbon substrates by Pd particles is observed by in situ transmission electron microscopy. Various modes of selective attack of the carbon substrate in the immediate neighborhood of Pd particles are observed, which can be correlated with different degrees of particle mobility. Using amorphous substrates we have been able to demonstrate that the particle-substrate interaction is influenced by the structure of the particle. This has not previously been noted.

Moorhead, R. D.↗
NASA NTRS1991

An improved pi/4-QPSK with nonredundant error correction for satellite mobile broadcasting

An improved pi/4-quadrature phase-shift keying (QPSK) receiver that incorporates a simple nonredundant error correction (NEC) structure is proposed for satellite and land-mobile digital broadcasting. The bit-error-rate (BER) performance of the pi/4-QPSK with NEC is analyzed and evaluated in a fast Rician fading and additive white Gaussian noise (AWGN) environment using computer simulation. It is demonstrated that with simple electronics the performance of a noncoherently detected pi/4-QPSK signal in both AWGN and fast Rician fading can be improved. When the K-factor (a ratio of average power of multipath signal to direct path power) of the Rician channel decreases, the improvement increases. An improvement of 1.2 dB could be obtained at a BER of 0.0001 in the AWGN channel. This performance gain is achieved without requiring any signal redundancy and additional bandwidth. Three types of noncoherent detection schemes of pi/4-QPSK with NEC structure, such as IF band differential detection, baseband differential detection, and FM discriminator, are discussed. It is concluded that the pi/4-QPSK with NEC is an attractive scheme for power-limited satellite land-mobile broadcasting systems.

Feher, Kamilo↗
NASA NTRS2006

Topside sounders as mobile ionospheric heaters

There is evidence that satellite-borne RF sounders can act as mobile ionospheric heaters in addition to performing topside sounding. The main objective of topside sounding is to use sounder-generated electromagnetic (em) waves to obtain ionospheric topside vertical electron-density (N(sub e) profiles. These profiles are obtained from mathematical inversions of the frequency vs. delay-time ionospheric reflection traces. In addition to these em reflection traces, a number of narrowband intense signals are observed starting at zero delay times after the transmitted pulses. Some of these signals, termed plasma resonances, appear at characteristic frequencies of the ambient medium such as at the electron cyclotron frequency f(sub ce), the harmonics nf(sub ce), the electron plasma frequency f(sub pe) and the upper-hybrid frequency f(sub uh), where (f(sub uh))(exp 2) = (f(sub ce))(exp 2) + (f(sub pe))(exp 2) . These signals have been attributed to the oblique echoes of sounder-generated electrostatic (es) waves. These resonances provide accurate in situ f(sub pe) and f(sub ce) values which, in turn, lead to accurate N(sub e) and [B] values where B is the ambient magnetic field. Resonances are also observed between the nf(sub ce) harmonics both above and below f(sub uh). The former, known as the Qn plasma resonances, are mainly attributed to the matching of the wave group velocity of sounder-generated (Bernstein-mode) es waves to the satellite velocity. The frequency spectrum of these waves in the magnetosphere can be used to detect non-Maxwellian electron velocity-distributions. In addition, these resonances also exhibit components that appear to be the result of plasma emissions stimulated by the sounder pulses. The plasma resonances observed between the nf(sub ce) harmonics and below f(sub uh), known as the Dn plasma resonances, are entirely attributed to such sounder-stimulated plasma emissions. There are other sounder-stimulated plasma phenomena that also fall into this category, e.g., ion affects on electron-resonant phenomena, proton-cyclotron echoes and N(sub e) field-aligned irregularities (FAI). Some of these phenomena are more pronounced when f(sub pe)/f(sub ce) approx. = n where n is an integer significantly greater than one. The observations suggest that the sounder-stimulated plasma phenomena are stimulated, or enhanced, on a time scale much less than one second. The purpose of this presentation is to review the above topics with particular emphasis on the sounder-stimulated plasma phenomena.

Benson, R. F.↗
NASA NTRS1996

Dissolution kinetics of a lunar glass simulant at 25 degrees C: the effect of pH and organic acids

The dissolution kinetics of a simulated lunar glass were examined at pH 3, 5, and 7. Additionally, the pH 7 experiments were conducted in the presence of citric and oxalic acid at concentrations of 2 and 20 mM. The organic acids were buffered at pH 7 to examine the effect of each molecule in their dissociated form. At pH 3, 5, and 7, the dissolution of the synthetic lunar glass was observed to proceed via a two-stage process. The first stage involved the parabolic release of Ca, Mg, Al, and Fe, and the linear release of Si. Dissolution was incongruent, creating a leached layer rich in Si and Ti which was verified by transmission electron microscopy (TEM). During the second stage the release of Ca, Mg, Al, and Fe was linear. A coupled diffusion/surface dissolution model was proposed for dissolution of the simulated lunar glass at pH 3, 5, and 7. During the first stage the initial release of mobile cations (i.e., Ca, Mg, Al, Fe) was limited by diffusion through the surface leached layer of the glass (parabolic release), while Si release was controlled by the hydrolysis of the Si-O-Al bonds at the glass surface (linear release). As dissolution continued, the mobile cations diffused from greater depths within the glass surface. A steady-state was then reached where the diffusion rate across the increased path lengths equalled the Si release rate from the surface. In the presence of the organic acids, the dissolution of the synthetic lunar glass proceeded by a one stage process. The release of Ca, Mg, Al, and Fe followed a parabolic relationship, while the release of Si was linear. The relative reactivity of the organic acids used in the experiments was citrate > oxalate. A thinner leached layer rich in Si/Ti, as compared to the pH experiments, was observed using TEM. Rate data suggest that the chemisorption of the organic anion to the surface silanol groups was responsible for enhanced dissolution in the presence of the organic acids. It is proposed that the increased rate of Si release is responsible for the one stage parabolic release of mobile cations and the relatively thin leached layer compared to experiments at pH 3 and 5.

NASA Discipline Life Support Systems↗
NASA NTRS2014

NASA Wearable Technology CLUSTER 2013-2014 Report

Wearable technology has the potential to revolutionize the way humans interact with one another, with information, and with the electronic systems that surround them. This change can already be seen in the dramatic increase in the availability and use of wearable health and activity monitors. These devices continuously monitor the wearer using on-­‐body sensors and wireless communication. They provide feedback that can be used to improve physical health and performance. Smart watches and head mounted displays are also receiving a great deal of commercial attention, providing immediate access to information via graphical displays, as well as additional sensing features. For the purposes of the Wearable Technology CLUSTER, wearable technology is broadly defined as any electronic sensing, human interfaces, computing, or communication that is mounted on the body. Current commercially available wearable devices primarily house electronics in rigid packaging to provide protection from flexing, moisture, and other contaminants. NASA mentors are interested in this approach, but are also interested in direct integration of electronics into clothing to enable more comfortable systems. For human spaceflight, wearable technology holds a great deal of promise for significantly improving safety, efficiency, autonomy, and research capacity for the crew in space and support personnel on the ground. Specific capabilities of interest include: Continuous biomedical monitoring for research and detection of health problems. Environmental monitoring for individual exposure assessments and alarms. Activity monitoring for responsive robotics and environments. Multi-modal caution and warning using tactile, auditory, and visual alarms. Wireless, hands-free, on-demand voice communication. Mobile, on-demand access to space vehicle and robotic displays and controls. Many technical challenges must be overcome to realize these wearable technology applications. For example, to make a wearable device that is both functional and comfortable for long duration wear, developers must strive to reduce electronic mass and volume while also addressing constraints imposed by the body attachment method. Depending on the application, the device must be placed in a location that the user can see and reach, and that provides the appropriate access to air and the wearer's skin. Limited power is available from body-­‐worn batteries and heat must be managed to prevent discomfort. If the clothing is to be washed, there are additional durability and washability hurdles that traditional electronics are not designed to address. Finally, each specific capability has unique technical challenges that will likely require unique solutions. In addition to the technical challenges, development of wearable devices is made more difficult by the diversity of skills required and the historic lack of collaboration across domains. Wearable technology development requires expertise in textiles engineering, apparel design, software and computer engineering, electronic design and manufacturing, human factors engineering, and application-­‐specific fields such as acoustics, medical devices, and sensing. Knowledge from each of these domains must be integrated to create functional and comfortable devices. For this reason, the diversity of knowledge and experience represented in the Wearable Technology is critical to overcoming the fundamental challenges in the field.

Simon, Cory↗
NASA NTRS1989

Epitaxial growth of InSb (111) on sapphire (0001)

Indium antimonide has been epitaxially grown directly on sapphire. Reflection high-energy electron diffraction, TEM, and SEM data are presented to show that the indium antimonide layer is epitaxial, has an abrupt interface with the sapphire, and grows in the 111-line direction. Mobility data show room-temperature mobilities as high as 10,000 sq cm/V s from some regions on the wafer.

Jamison, K. D.↗
NASA NTRS2015

The Earth's Plasmasphere

The Earth's plasmasphere is an inner part of the magneteosphere. It is located just outside the upper ionosphere located in Earth's atmosphere. It is a region of dense, cold plasma that surrounds the Earth. Although plasma is found throughout the magnetosphere, the plasmasphere usually contains the coldest plasma. Here's how it works: The upper reaches of our planet's atmosphere are exposed to ultraviolet light from the Sun, and they are ionized with electrons that are freed from neutral atmospheric particles. The results are electrically charged negative and positive particles. The negative particles are electrons, and the positive particles are now called ions (formerly atoms and molecules). If the density of these particles is low enough, this electrically charged gas behaves differently than it would if it were neutral. Now this gas is called plasma. The atmospheric gas density becomes low enough to support the conditions for a plasma around earth at about 90 kilometers above Earth's surface. The electrons in plasma gain more energy, and they are very low in mass. They move along Earth's magnetic field lines and their increased energy is enough to escape Earth's gravity. Because electrons are very light, they don't have to gain too much kinetic energy from the Sun's ultraviolet light before gravity loses its grip on them. Gravity is not all that holds them back, however. As more and more electrons begin to escape outward, they leave behind a growing net positive electric charge in the ionosphere and create a growing net negative electric charge above the ionosphere; an electric field begins to develop (the Pannekoek-Rosseland E-field). Thus, these different interacting charges result in a positively charged ionosphere and negatively charged region of space above it. Very quickly this resulting electric field opposed upward movement of the electrons out of the ionosphere. The electrons still have this increased energy, however, so the electric field doesn't just go away. Instead the ions react to the electric field and are attracted to it. They begin to move upward out of the ionosphere too. Since all this happens on a small scale, it simply looks like the electrons and ions move out of the ionosphere together. Ultimately the effect is that the lighter ions of hydrogen, helium and oxygen are able to escape from the ionosphere. For a planet like Earth with a strong planetary magnetic field, these outward moving particles remain trapped near the planet unless other processes further draw them away and into interplanetary space. As is always the case with nature, there is much more story to tell about this "upwardly mobile" plasma and these other processes. Over only a short time period of hours and days this escaping plasma can, in some places, build up in concentration until an equilibrium is reached where as much plasma flows inward into the ionosphere as flows outward. This "donut shaped" region of cold (about 1 electron volt in energy) plasma encircling the planet is called the plasmasphere. Because of space weather storms (kind of a generic phrase for those other processes) this cold and dense plasmaspheric plasma can actually end up all over the place. Generally, that region of space where plasma from the ionosphere has the time to build up to become identified as the plasmasphere rotates or nearly rotates with the Earth. That region shrinks in size with increased space weather activity and expands or refills during times of inactivity. As it shrinks with increasing activity, some of the plasmasphere is drawn away from its main body (plasmaspheric erosion) in the sunward direction toward the boundary in space between that region dominated by Earth's magnetic field and the much larger region dominated by the Sun's magnetic field. The region dominated by Earth's magnetic field is called the magnetosphere. The larger Sun dominated region is called the heliosphere.

plasmasphere↗
NASA NTRS1999

Hydrazine Detection with a Tunable Diode Laser Spectrometer

Several instruments have been developed to measure low concentrations of hydrazine but none completely meet the sensitivity requirements while satisfying additional criteria such as quick response, stable calibration, interference free operation, online operation, reasonable cost, etc. A brief review is presented of the current technology including the electrochemical cell, the ion mobility spectrometer, the mass spectrometer, and the gas chromatograph. A review of the advantages and disadvantages of these instruments are presented here. The review also includes commercially unavailable technology such as the electronic nose and the Tunable Diode Laser (TDL) IR Spectrometer. It was found that the TDL could meet the majority of these criteria including fast response, minimum maintenance, portability, and reasonable cost. An experiment was conducted to demonstrate the feasibility of such a system using an existing (non-portable) instrument. A lead-salt tunable diode laser, cooled to 85 degrees Kelvin was used to record direct absorption and second-derivative spectra of Hydrazine at several pressures to study the sensitivity to low levels of Hydrazine. Spectra of NH3 and CO2 were used for wavelength identification of the scanned region. With a pathlength of 80 m, detection sensitivities of about 1 ppb were achieved for hydrazine in dry nitrogen at a cell pressure of 100 mbar. For spectroscopic detection of Hydrazine, spectral regions including strong Ammonia or Carbon Dioxide lines must be avoided. Strong Hydrazine absorption features were identified at 940/cm showing minimal contribution from Ammonia interferences as suitable candidates for Hydrazine gas detection. For the studies reported here, the particular laser diode could only cover the narrow regions near 962/cm and 965/cm where strong Ammonia interferences were expected. However, the high resolution (0.001/cm) of the TDL spectrometer allowed individual lines of Hydrazine to be identified away from interferences from either Ammonia or Carbon Dioxide, especially at lower pressures. A Hydrazine line was identified at 961.75/cm which was free from Ammonia absorption and would be suitable to monitor hydrazine levels. This paper also shows data on the degradation of the detectivity of Hydrazine with increasing pressure. Several design options for a portable unit are presented, including designs with near IR and Quantum Cascade laser components which do not require liquid nitrogen cooling.

Houseman, John↗
NASA NTRS2000

Towards Evolving Electronic Circuits for Autonomous Space Applications

The relatively new field of Evolvable Hardware studies how simulated evolution can reconfigure, adapt, and design hardware structures in an automated manner. Space applications, especially those requiring autonomy, are potential beneficiaries of evolvable hardware. For example, robotic drilling from a mobile platform requires high-bandwidth controller circuits that are difficult to design. In this paper, we present automated design techniques based on evolutionary search that could potentially be used in such applications. First, we present a method of automatically generating analog circuit designs using evolutionary search and a circuit construction language. Our system allows circuit size (number of devices), circuit topology, and device values to be evolved. Using a parallel genetic algorithm, we present experimental results for five design tasks. Second, we investigate the use of coevolution in automated circuit design. We examine fitness evaluation by comparing the effectiveness of four fitness schedules. The results indicate that solution quality is highest with static and co-evolving fitness schedules as compared to the other two dynamic schedules. We discuss these results and offer two possible explanations for the observed behavior: retention of useful information, and alignment of problem difficulty with circuit proficiency.

Lohn, Jason D.↗
NASA NTRS1995

The GEMnet (TM) global data communication

The GEMnet(TM) (Global Electronics Message network) will provide global digital data communications anywhere in the world at any time for minimum cost. GEMnet(TM) is an end-to-end Non-Voice Non-Geostationary Mobile Satellite (NVNG) (sometimes dubbed 'Little LEO') System which consists of a constellation of 38 low Earth orbiting small satellites and a ground segment. The GEMnet(TM) ground segment will consist of subscriber user terminals, gateway stations, a Network Operational Center(NOC), and a backbone network interconnecting the NOC and gateways. This paper will describe the GEMnet(TM) system concept including ground and space segments, system heritage, data communication services, and protocols.

Yi, Byung K.↗
NASA NTRS2007

Using Visual Odometry to Estimate Position and Attitude

A computer program in the guidance system of a mobile robot generates estimates of the position and attitude of the robot, using features of the terrain on which the robot is moving, by processing digitized images acquired by a stereoscopic pair of electronic cameras mounted rigidly on the robot. Developed for use in localizing the Mars Exploration Rover (MER) vehicles on Martian terrain, the program can also be used for similar purposes on terrestrial robots moving in sufficiently visually textured environments: examples include low-flying robotic aircraft and wheeled robots moving on rocky terrain or inside buildings. In simplified terms, the program automatically detects visual features and tracks them across stereoscopic pairs of images acquired by the cameras. The 3D locations of the tracked features are then robustly processed into an estimate of overall vehicle motion. Testing has shown that by use of this software, the error in the estimate of the position of the robot can be limited to no more than 2 percent of the distance traveled, provided that the terrain is sufficiently rich in features. This software has proven extremely useful on the MER vehicles during driving on sandy and highly sloped terrains on Mars.

Maimone, Mark↗
NASA NTRS2016

Initial Work Toward a Robotically Assisted EVA Glove

The Space Suit RoboGlove is a device designed to provide additional grasp strength or endurance for an EVA crew member since gloved hand performance is a fraction of what the unencumbered human hand can achieve. There have been past efforts to approach this problem by employing novel materials and construction techniques to the glove design, as well as integrating powered assistance devices. This application of the NASA/GM RoboGlove technology uses a unique approach to integrate the robotic actuators and sensors into a Phase VI EVA glove. This design provides grasp augmentation to the glove user while active, but can also function as a normal glove when disabled. Care was taken to avoid adding excessive bulk to the glove or affecting tactility by choosing low-profile sensors and extrinsically locating the actuators. Conduits are used to guide robotic tendons from linear actuators, across the wrist, and to the fingers. The second generation of the SSRG includes updated electronics, sensors, and actuators to improve performance. The following discusses the electromechanical design, softgoods integration, and control system of the SSRG. It also presents test results from the first integration of a powered mobility element onto a space suit, the NASA Mark III. Early results show that sensor integration did not impact tactile feedback in the glove and the actuators show potential for reduction in grasp fatigue over time.

Rogers, J.↗
NASA NTRSDate not supplied

Quantum Mechanical Simulations of Dynamics of Electronic Excitations in Low-Dimensional Photovoltaics Materials

Dynamics of electronically excited states including exciton generation and relaxation, exciton-exciton interaction, and charge/energy transfer and transport, are critical to understanding and optimizing photovoltaic materials. Although considerable progress has been made, accurate experimental characterization of such crucial dynamics remains extremely challenging, especially in low-dimensional materials. In this talk, I will discuss how the advancement of quantum mechanical simulations of the dynamics of electronic excitations can reveal the physical mechanisms hindering or improving solar energy harvest. Specifically, we find that surface dangling-bond defects on silicon quantum dots cause rapid charge recombination and low carrier mobility in the inorganic-organic PV cells. Although small quantum dots are essentially free of defects, their optical gaps are too large. To solve this issue, a full-spectrum-light-absorption scheme is computationally designed, taking advantage of complexity and flexibility of low-dimensional materials consisting of different characteristics and dimensions. In this scheme the multifunctional ligands are used to (1) passivate against oxidation, (2) facilitate interfacial charge transfer, and (3) improve both charge transport and optical absorption. A joint theoretical and experimental study has demonstrated the feasibility of this approach. Finally, I will briefly talk about how this scheme and the well-tested quantum mechanical simulations can be employed to help improve energy-conversion efficiency in perovskite photovoltaics including perovskite-based tandem cells.

Zhigang Wu↗