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DOE OSTI2020

A Novel Voltage Balancing Control With dv/dt Reduction for 10-kV SiC MOSFET-Based Medium Voltage Modular Multilevel Converter

Using high voltage (HV) silicon carbide (SiC) power semiconductors in a modular multilevel converter (MMC) is promising because it results in fewer submodules and lower switching loss compared to conventional Si based solutions. The nearest level pulsewidth modulation (NL-PWM) is commonly used in the MMC for medium voltage applications. However, with the NL-PWM and existing voltage balancing control, there are many submodules that switch their modes in a control cycle, resulting in a high dv/dt during the deadtime of the power semiconductor, which could be multiple times of the dv/dt of the single device. This poses great challenges on the noise immunity and insulation design in the MMC using HV SiC devices, which have very fast switching speed. A novel voltage balancing control, which ensures only two submodules switch their modes in a control cycle, is proposed in this article, limiting the maximum dv/dt to the dv/dt of a single power semiconductor and also maintaining the voltage balance performance. Furthermore, the proposed voltage balancing control is experimentally validated in a 10-kV SiC mosfet based MMC with four submodules per arm.

42 ENGINEERING↗

DOE OSTI2014

Definition of Capabilities Needed for a Single Event Effects Test Facility

The Federal Aviation Administration (FAA) is contemplating new regulations mandating testing of the vulnerability of flight-critical avionics to single event effects (SEE). A limited number of high-energy neutron test facilities currently serve the SEE industrial and institutional research community. The FAA recognizes that existing facilities have insufficient test capacity to meet new demand from such mandates; it desires more flexible irradiation capabilities to test complete, large systems and would like capabilities to address greater concerns for thermal neutrons. For this reason, the FAA funded this study by Spallation Neutron Source (SNS) staff with the ultimate aim of developing options for SEE test facilities using high-energy neutrons at the SNS complex. After an investigation of current SEE test practices and assessment of future testing requirements, three concepts were identified covering a range of test functionality, neutron flux levels, and fidelity to the atmospheric neutron spectrum. The costs and times required to complete each facility were also estimated. SEE testing is generally performed by accelerating the event rate to a point where the effects are still dominated by single events and double event causes of failures are negligible. In practice, acceleration factors of as high as 10 6 are applicable for component testing, whereas for systems testing acceleration factors of 10 4 seem to be the upper limit. It is strongly desirable that the irradiation facility be tunable over a large range of high-energy neutron fluxes of 10 2 - 10 4 n/cm²/s for systems testing and from 10 4 - 10 7 n/cm²/s for components testing. The most capable, most flexible, and highest-test-capacity option is a new stand-alone target station named the High-Energy neutron Test Station (HETS). It is also the most expensive option, with a cost to complete of approximately $100 million. Dual test enclosures would allow for simultaneous testing activity effectively doubling overall test capacity per HETS operating hour. Using about 1 kilowatt (kW) of proton power extracted from the accelerator before injection in the accumulator ring, its operation would be unnoticeable by neutron scattering users at the SNS target station. The H beam laser stripping technique would allow for control of beam power on the HETS target independent from power delivered to the SNS. Large systems with frontal areas of up to 1 x 2 m² could be accommodated with integral high-energy flux values (above 10 megaelectron-volt, or MeV) to at most 10 4 n/cm²/s; components could also be tested with flux levels to at most 10 7 n/cm²/s on beam sizes of up to 0.2 x 0.2 m². Selectable moderating material and neutron filters would allow tailoring of the neutron spectrum to user demands; charged particle deflectors could be switched to allow or deflect protons, pions, and muons. It is estimated that HETS would take 5 years to complete after award of contract, including engineering design and construction. Commissioning would take at least another 6 months. Interference with SNS principal operations was not considered in the construction time estimate; connection of the proton transport line and tunnel from the accelerator high energy beam transport (HEBT) and construction around existing site utilities would require careful planning and coordination with beam operations at the SNS. A high-energy (HE) neutron test facility using an available beam line on the SNS target station is a technically and financially attractive option. Inspired by the new ChipIR instrument on the ISIS TS 2 spallation source in the UK, a similar facility could be placed on an unused beam line in the SNS instrument hall [e.g., on beam line 8 (both A and B channels would be needed) or on beam line 10]. The performance would approach that of an HETS (~80%), but it would be operationally more limited, with only a single user at a time. Space is more limited, so the maximum system size would be about half of that in an HETS. Flexibility to tailor the spectrum would be somewhat more limited. While this concept was not as fully developed and characterized, preliminary work indicates very high HE flux levels should be possible, with ample thermal neutrons as well. Flux control would be more difficult than at HETS because proton power on target be whatever the SNS was operating at for neutron scattering. Neutron attenuation devices would have to be employed with as-yet undetermined control resolution. However, no new buildings would be needed, and the necessary utilities are already present in the SNS Experiment Hall. The estimated cost for a beam line option is around $15 million; the time to complete would be 3 years after award of contract, plus at least 6 months for commissioning. Interference of construction activities with SNS operations should be negligible. This option would require negotiation with the Department of Energy Basic Energy Sciences (BES) office -- the primary stakeholder of SNS -- for an application outside the usual scope of neutron scattering sciences. Furthermore, these presently open beam lines are highly desirable locations for proposed neutron scattering instruments and obtaining one of them for an SEE test facility will come only with persuasive and timely arguments to SNS leadership and the DOE BES. The third option is a tunnel extension/target cave facility providing the most basic system-level irradiation capability with minimal flexibility. Again not as well developed a concept as HETS, it would use a laser-stripping technique like an HETS, redirecting protons to a tunnel similar to the initial HETS proton transport tunnel. Indeed, this concept is intended to be upgradable to a full HETS facility. Only a small fraction of a watt of proton power would be used in this basic configuration, though. An uncooled target and primitive shielding arrangement would provide beam on modestly sized systems that must be placed in close proximity to the target. The neutron fluence would be less uniform over the system than with the HETS or the beam line option. A data acquisition room and support area would be located on the ground level; access to the target cave would be via elevator and/or stairway. As a result of the required excavation, new tunnel construction, shielding, data acquisition building, utilities, and other items, the estimated cost is $30 million. The time to complete is expected be more than 3 years; here again construction interference with SNS operations has not been accounted for, but it could have a significant impact.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Strain-controlled thermal conductivity in ferroic twinned films

Large reversible changes of thermal conductivity are induced by mechanical stress, and the corresponding device is a key element for phononics applications. We show that the thermal conductivity k of ferroic twinned thin films can be reversibly controlled by strain. Nonequilibrium molecular dynamics simulations reveal that thermal conductivity decreases linearly with the number of twin boundaries perpendicular to the direction of heat flow. Our demonstration of large and reversible changes in thermal conductivity driven by strain may inspire the design of controllable thermal switches for thermal logic gates and all-solid-state cooling devices.

SURFACES, INTERFACES AND THIN FILMS↗

DOE OSTI2026

Systematic multi-machine analysis of the exhaust time-dependent behavior in tokamaks

The understanding of the time-scales and associated transient behavior of fusion exhaust plasmas plays a crucial role in its dynamic modeling and its control. This work presents an overview of experimental investigations of the exhaust dynamics in TCV, MAST-U, ASDEX-Upgrade, WEST, DIII-D, and JET. From the presented experiments, a clear picture arises on properties of the exhaust dynamics across machines. Particularly, we observe that the scrape-off layer equilibrates on fast time-scales ($>$ 70 Hz) and that exhaust dynamics measured in response to gas valve modulations mostly behave smoothly and linearly, with similarities across devices, across scenarios (H-mode, L-mode), injected species, and injection locations. The measurements presented have formed the basis for systematic exhaust control on the considered devices. We now present this database for the essential validation of dynamic exhaust models for reactor design and control.

control↗

DOE OSTI2021

Multicolor Photonic Pigments for Rotation-Asymmetric Mechanochromic Devices

Photonic crystals are extensively explored to replace inorganic pigments and organic dyes as coloring elements in printing, painting, sensing, and anti-counterfeiting due to their brilliant structural colors, chemical stability, and environmental friendliness. However, most existing photonic-crystal-based pigments can only display monochromatic colors once made, and generating multicolors has to start with designing different building blocks. In this work, a novel photonic pigment featuring highly tunable structural colors in the entire visible spectrum, made by the magnetic assembly of monodisperse nanorods into body-centered-tetragonal photonic crystals, is reported. Their prominent magnetic and crystal anisotropy makes it efficient to generate multicolors using one photonic pigment by magnetically controlling the crystal orientation. Further, the combination of angle-dependent diffraction and magnetic orientation control enables the design of rotation-asymmetric photonic films that display distinct patterns and encrypted information in response to rotation. The efficient multicolor generation through precise orientational control makes this novel photonic pigment promising in developing high-performance structural-colored materials and optical devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Strain Control of Oxygen Vacancies in Epitaxial Strontium Cobaltite Films

The ability to manipulate oxygen anion defects rather than metal cations in complex oxides can facilitate creating new functionalities critical for emerging energy and device technologies. However, the difficulty in activating oxygen at reduced temperatures hinders the deliberate control of important defects, oxygen vacancies. Here, strontium cobaltite (SrCoOx) is used to demonstrate that epitaxial strain is a powerful tool for manipulating the oxygen vacancy concentration even under highly oxidizing environments and at annealing temperatures as low as 300 degrees C. By applying a small biaxial tensile strain (2%), the oxygen activation energy barrier decreases by approximate to 30%, resulting in a tunable oxygen defi cient steady-state under conditions that would normally fully oxidize unstrained cobaltite. These strain-induced changes in oxygen stoichiometry drive the cobaltite from a ferromagnetic metal towards an antiferromagnetic insulator. The ability to decouple the oxygen vacancy concentration from its typical dependence on the operational environment is useful for effectively designing oxides materials with a specific oxygen stoichiometry.

Petrie, Jonathan R.↗

DOE OSTI2017

Controlled manipulation of oxygen vacancies using nanoscale flexoelectricity

Oxygen vacancies, especially their distribution, are directly coupled to the electromagnetic properties of oxides and related emergent functionalities that have implications for device applications. Here using a homoepitaxial strontium titanate thin film, we demonstrate a controlled manipulation of the oxygen vacancy distribution using the mechanical force from a scanning probe microscope tip. By combining Kelvin probe force microscopy imaging and phase-field simulations, we show that oxygen vacancies can move under a stress-gradient-induced depolarisation field. When tailored, this nanoscale flexoelectric effect enables a controlled spatial modulation. In motion, the scanning probe tip thereby deterministically reconfigures the spatial distribution of vacancies. Finally, the ability to locally manipulate oxygen vacancies on-demand provides a tool for the exploration of mesoscale quantum phenomena and engineering multifunctional oxide devices.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Reactive sputter deposition of piezoelectric Sc 0.12 Al 0.88 N for contour mode resonators

Substitution of Al by Sc has been predicted and demonstrated to improve the piezoelectric response in AlN for commercial market applications in radio frequency filter technologies. Although cosputtering with multiple targets have achieved Sc incorporation in excess of 40%, industrial processes requiring stable single target sputtering are currently limited. A major concern with sputter deposition of ScAl is the control over the presence of non-c-axis oriented crystal growth, referred to as inclusions here, while simultaneously controlling film stress for suspended microelectromechanical systems (MEMS) structures. This work describes 12.5% ScAl single target reactive sputter deposition process and establishes a direct relationship between the inclusion occurrences and compressive film stress allowing for the suppression of the c-axis instability on silicon (100) and Ti/TiN/AlCu seeding layers. An initial high film stress, for suppressing inclusions, is then balanced with a lower film stress deposition to control total film stress to prevent Euler buckling of suspended MEMS devices. Contour mode resonators fabricated using these films demonstrate effective coupling coefficients up to 2.7% with figures of merit of 42. Furthermore, this work provides a method to establish inclusion free films in ScAlN piezoelectric films for good quality factor devices.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Spontaneous time-reversal symmetry breaking in twisted double bilayer graphene

Twisted double bilayer graphene (tDBG) comprises two Bernal-stacked bilayer graphene sheets with a twist between them. Gate voltages applied to top and back gates of a tDBG device tune both the flatness and topology of the electronic bands, enabling an unusual level of experimental control. Metallic states with broken spin and valley symmetries have been observed in tDBG devices with twist angles in the range 1.2–1.3°, but the topologies and order parameters of these states have remained unclear. We report the observation of an anomalous Hall effect in the correlated metal state of tDBG, with hysteresis loops spanning hundreds of mT in out-of-plane magnetic field (B ⊥ ) that demonstrate spontaneously broken time-reversal symmetry. The B ⊥ hysteresis persists for in-plane fields up to several Tesla, suggesting valley (orbital) ferromagnetism. At the same time, the resistivity is strongly affected by even mT-scale values of in-plane magnetic field, pointing to spin-valley coupling or to a direct orbital coupling between in-plane field and the valley degree of freedom.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Manipulating the insulator–metal transition through tip-induced hydrogenation

Manipulating the insulator–metal transition in strongly correlated materials has attracted a broad range of research activity due to its promising applications in, for example, memories, electrochromic windows and optical modulators. Electric-field-controlled hydrogenation using ionic liquids and solid electrolytes is a useful strategy to obtain the insulator–metal transition with corresponding electron filling, but faces technical challenges for miniaturization due to the complicated device architecture. Here, in this work, we demonstrate reversible electric-field control of nanoscale hydrogenation into VO 2 with a tunable insulator–metal transition using a scanning probe. The Pt-coated probe serves as an efficient catalyst to split hydrogen molecules, while the positive-biased voltage accelerates hydrogen ions between the tip and sample surface to facilitate their incorporation, leading to non-volatile transformation from insulating VO 2 into conducting H x VO 2 . Remarkably, a negative-biased voltage triggers dehydrogenation to restore the insulating VO 2 . This work demonstrates a local and reversible electric-field-controlled insulator–metal transition through hydrogen evolution and presents a versatile pathway to exploit multiple functional devices at the nanoscale.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Ibis Networks/WattIQ (IN2 Final Report)

Ibis Networks is a full-stack cleantech company that provides plug-level energy monitoring and control to solve energy and asset management problems for the enterprise. During DATES – DATES, an NREL research team worked with the Ibis team to validate their product, the InteliSocket. The Ibis InteliSocket is a pass-through plug-load energy monitor and controller that is designed to reduce energy wasted by common 120 V plug-in devices in commercial office buildings, such as computer peripherals, conference room AV equipment, and break-room appliances. The system can shut off supply power to these end uses via remote control, manual switches, pre-set schedules, or automated control algorithms. The scope of this IN2 project was the development and refinement of “smart” learning behavior algorithms (LBAs), which could help installation processes and dramatically expand the sockets’ capabilities and energy-saving potential by suggesting suitable control schedules that are based on monitored use patterns. While Ibis has the analytical and software expertise for algorithm development, the lack of test data, both in a controlled laboratory setting and in real-life deployment scenarios, represented a key barrier toward commercialization of the product. Assistance through the IN2 program provided an opportunity to conduct the needed “trial and error” algorithm development. The project included baseline field-data collection, laboratory testing, and field validation components, all of which were conducted at the NREL campus between April 2017 and July 2019.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Formation of contour optical traps using a four-channel liquid crystal focusing device

The capabilities and specific features of the formation and dynamic control of so-called contour optical traps using a fourchannel liquid crystal modulator are studied theoretically and experimentally. Circular, elliptical and C-shaped traps are formed. Trapping and confinement of absorbing micro-objects by the formed traps are demonstrated. (optical traps)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Electric current paths in a Si:P delta-doped device imaged by nitrogen-vacancy diamond magnetic microscopy

The recently-developed ability to control phosphorous-doping of silicon at an atomic level using scanning tunneling microscopy, a technique known as atomic precision advanced manufacturing (APAM), has allowed us to tailor electronic devices with atomic precision, and thus has emerged as a way to explore new possibilities in Si electronics. In these applications, critical questions include where current flow is actually occurring in or near APAM structures as well as whether leakage currents are present. In general, detection and mapping of current flow in APAM structures are valuable diagnostic tools to obtain reliable devices in digital-enhanced applications. In this report, we used nitrogen-vacancy (NV) centers in diamond for wide-field magnetic imaging (with a few-mm field of view and micron-scale resolution) of magnetic fields from surface currents flowing in an APAM test device made of a P delta-doped layer on a Si substrate, a standard APAM witness material. We integrated a diamond having a surface NV ensemble with the device (patterned in two parallel mm-sized ribbons), then mapped the magnetic field from the DC current injected in the APAM device in a home-built NV wide-field microscope. The 2D magnetic field maps were used to reconstruct the surface current densities, allowing us to obtain information on current paths, device failures such as choke points where current flow is impeded, and current leakages outside the APAM-defined P-doped regions. Analysis on the current density reconstructed map showed a projected sensitivity of ~0.03 A m -1 , corresponding to a smallest-detectable current in the 200 μm wide APAM ribbon of ~6 μA. These results demonstrate the failure analysis capability of NV wide-field magnetometry for APAM materials, opening the possibility to investigate other cutting-edge microelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Amine-Thiol/Selenol Chemistry for Efficient and Stable Perovskite Solar Cells

Controlling the crystallization of perovskites is imperative to reduce defect densities in perovskite thin films and extend device lifetimes. In this work, combinations of amine and chalcogenide ligands were introduced in the sequential deposition method to fabricate highly crystalline and orientated formamidinium lead iodide thin films with reduced defect densities and increased charge carrier lifetimes. The dual additives can tune the perovskite intermediate state and control the crystallization leading to devices with improved efficiencies and stabilities. While thiophenol failed to prevent the amine ligand from degrading the perovskite precursors, benzene selenol combinations with amine-ligands drastically changed the solution chemistry to increase the PbI 2 conversion to highly crystalline and orientated α-FAPbI 3 films with lower defect densities. X-ray photoelectron spectroscopy studies reveal benzene selenol evaporates from the thin film leaving behind a modified surface, which is associated with the amine additive. These results indicate the amine selection can be used to tune the surface properties. Lastly, we propose a highly tunable I 2 reduction strategy using chalcogenide chemistry to help enable the realization of perovskite solar cells with high performance and stability.

defects↗

DOE OSTI2024

Impedance Emulation Control of Wave Energy Converters

Modeling and control of wave energy conversion (WEC) systems for maximum power extraction is challenging due to complex multiphysics that include fluids, mechanics, and machine drives. To uncover an intuitive model that clearly depicts WEC system operation, we utilize a force-current equivalent circuit framework which then enables us to design an impedance emulation control strategy. To provide context for our framework, we focus on a standard reference model-3 (RM3) point absorber device coupled to a permanent magnet synchronous generator. After the proposed extremum seeking controller is computed, we experimentally validate its performance on a platform that consists of two back-to-back connected inverters that emulate the WEC system.

wave energy conversion, impedance emulation, machi↗

DOE OSTI2026

Knowledge gaps for neuromorphic ionic computing

BACKGROUND Neuromorphic computing, inspired by the human brain’s ability to process information efficiently, represents a transformative approach to computation. In this Review, we explore the emerging field of neuromorphic ionic computing, which leverages ionic conduction and coupling to mimic neural processes, and identify critical knowledge gaps that must be addressed to realize its full potential. A central theme of the discussion is energy efficiency, a challenge that is both a limitation and an opportunity for this technology. Although complementary metal-oxide semiconductor (CMOS)–based neuromorphic technologies have made strides in scaling to billions of neurons and are increasingly applied in artificial intelligence and numerical computing, they remain orders of magnitude behind the human brain in terms of connectivity and energy efficiency. Neuromorphic ionic computing promises to overcome these limitations by leveraging the distinct architectural and operational principles of the brain. Our brains achieve this energy efficiency by combining several key features: using the same network elements to store and process information; using an incredibly complex and massively interconnected three-dimensional (3D) network of locally active elements that enables sparsity, robustness in the presence of noise, adaptation, and life-long learning; computing at comparatively low voltage and frequency; and last, taking advantage of a plethora of ions and small molecules as information carriers. Here, we propose that ionic computing systems can take advantage of similar features to achieve substantial gains in energy efficiency. ADVANCES Since the first reports of neuromorphic ionic behavior in nanofluidic channels, we have witnessed an explosion of reports that used ionic devices to produce synaptomimetic behaviors. However, achieving the goals of ionic computing requires not only implementation of much more sophisticated device functionality but also overcoming fundamental barriers in materials science, device architecture, and system integration. Current ionic devices, even those incorporating state-of-the-art materials, still suffer from limited functionality and stability, which restrict their performance and increase energy demands. Developing new materials with enhanced ionic properties is essential to overcome these limitations. Similarly, the design of neuromorphic devices must evolve to leverage the particular advantages of ionic processes. Existing architectures often follow a single-information-carrier logic of conventional electronics or are constructed of mesoscale fluidics, failing to capitalize on the energy-efficient mechanisms inherent to ionic systems or implement the multiple-information-carrier paradigm. Current neuromorphic chips focus on large-scale networks of analog memory elements based on mechanisms such as charge trap (flash), filamentary, phase change, or spin, which are built on top of a network of artificial CMOS neurons. Although such prototype networks have achieved impressive performance, it is difficult to envision how they can implement the key features such as massive connectivity, sophisticated plasticity, adaptability, sparsity, and “multichromatic” computing. Although small-scale devices have demonstrated promising results, integrating them, maintaining energy efficiency, and implementing temperature control as systems grow in complexity and size to computationally relevant scale remain major hurdles. Furthermore, interfacing neuromorphic ionic devices with existing computing technologies presents technical and conceptual challenges that will require innovative approaches that combine insights from neuroscience, materials science, and engineering. OUTLOOK Despite these challenges, the potential impact of neuromorphic ionic computing is profound with potential applications ranging from artificial intelligence to robotics and beyond. We also argue that neuromorphic ionic computing systems should not, at least in the beginning, compete with CMOS technologies but rather should focus on applications that require extreme energy efficiency with chemical and/or biological compatibility, such as biomedical applications (for example, brain-computer interfaces), environmental monitoring, and agricultural and food applications. Ultimately, this Review highlights the crucial role of interdisciplinary collaboration in advancing the field. Neuromorphic ionic computing is not merely a technological innovation; it represents a substantial step toward sustainable computation, aligning with the growing demand for energy-conscious solutions in a world that is increasingly reliant on data and computation.

Neuromorphic↗

DOE OSTI2019

Reciprocal Control of Hierarchical DNA Origami-Nanoparticle Assemblies

DNA origami mechanisms offer promising tools for precision nanomanipulation of molecules or nanomaterials. Recent advances have extended the function of individual DNA origami devices to material scales via hierarchical assemblies. However, achieving rapid and precise control of large conformational changes in hierarchical assemblies remains a critical challenge. In this work, we demonstrate a method for controlling DNA origami-nanoparticle assemblies through a multiscale approach, in which nanoparticles impart control on the conformation of individual DNA origami mechanisms, whereas DNA origami assemblies control the conformation of nanoparticle arrays. Specifically, we show that the angular distributions of DNA origami hinge mechanisms are tunable as a function of nanoparticle size and distance from the hinge vertex. We selectively adjust the affinity of nanoparticle binding sites, resulting in hinge actuation via DNA melting without releasing the nanoparticle, thereby enabling rapid and reversible temperature-based actuation. Finally, we demonstrate this rapid actuation in DNA origami-nanoparticle arrays of length scales extending over a micron. These results provide guiding principles toward the design of dynamic, DNA-origami hierarchical materials capable of storing and releasing mechanical energy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Hydrogen-Bond-Promoted Planar Conformation, Crystallinity, and Charge Transport in Semiconducting Diazaisoindigo Derivatives

Conformational control of π-conjugated molecules using intramolecular noncovalent bonds represents a promising strategy to tailor the solid-state molecular packing and electronic properties of these materials. Here, we report the design and synthesis of two model compounds featuring intramolecular hydrogen bonds formed between a center diazaisoindigo unit (the acceptor) and flanking indole units (the donor). Computational and experimental investigations show that these hydrogen bonds enthalpically stabilize the coplanar molecular conformation by over 10 kcal/mol. The formation of these hydrogen bonds is also slightly favorable in terms of entropy, ensuring high temperature stability of the planar conformation. In this work, thermal annealing of thin films of these compounds imparts high crystallinity and orientation in the solid state, while the non-hydrogen bond control only gave an amorphous solid. Field-effect transistor devices fabricated from these thin films exhibit hole mobilities up to 0.270 cm 2 V -1 s -1 , in contrast to the lack of measurable charge carrier mobility for the non-hydrogen bond control. This work demonstrates an efficient synthetic strategy to incorporate robust intramolecular hydrogen bonds into conjugated π-systems and elucidates the mechanism on how such hydrogen bonds promote the desired molecular conformation, solid-state packing, and electronic performances of conjugated organic materials.

36 MATERIALS SCIENCE↗