2000 — 2005 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Career: Plasma and Surface Chemistry in Depositing and Etching Metal Oxides @ University of California-Los Angeles
Understanding of complex plasma-chemical processes has enabled many technological breakthroughs for thin-film deposition, etching, surface cleaning, and surface modification in silicon-based microelectronic systems. The objective of this CAREER effort is to extend plasma processing technology to metal oxides, a nonsilicon class of dielectric materials, by elucidating the gas-phase and surface reaction mechanisms and the origins of electronic defects in metal-oxide thin films and their effects on the conduction mechanisms of these films. Plasma diagnostic and surface analytical techniques are used to obtain quantitative information on plasma chemistry, identify reaction intermediates, and determine surface reaction-rate coefficients needed to model and control deposition and etching processes under real processing conditions. Scanning tunneling microscopy is used to determine local surface electronic structure and point defects during initial growth of the ultrathin dielectrics.
An undergraduate semiconductor manufacturing option is to be established featuring a Semiconductor Manufacturing and Micro-Fabrication Laboratory to give chemical engineering students hands-on experience in fabricating and testing miniature electronic devices and micro-electrical mechanical systems (MEMS).
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0.915 |
2002 — 2007 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Design and Integration of a Cylindrical Ion Trap Array For a Micro-Total-Chemical-Analysis System @ University of California-Los Angeles
Research:
This Small Grant for Exploratory Research is being funded under NSF 02-2: "Next Generation Chemical and Biological Sensors and Sensing Systems." The objective of the research is to design, model, fabricate, test, and integrate a miniature mass analyzer to augment the existing chemical analysis capability of a total micro-analytical system on a chip. A smaller, faster, cheaper, and more accurate mass analyzer may also be useful in space applications, chemical warfare and biological weapons detection, environmental monitoring, and medical diagnostics. A feasibility analysis has been carried out to assess the functionality of a cylindrical ion trap array with each trap at micrometer scales. The mass range can be varied to detect low mass chemicals and large mass biological molecules by changing the physical dimension of the ion trap and/or the operation frequency. It has been shown that the resolution and sensitivity can be maintained in these micro-mass analyzers, making a fieldable and portable device possible. This miniaturized mass analyzer will be integrated with a miniature gas-chromatograph column, a micro-thermal conductivity detector, a surface acoustic wave detector, and an internal calibration unit, for chemical and biological sensing.
Impact:
The research outcome will be integrated into a new undergraduate laboratory course on Semiconductor Manufacturing and Micro-Fabrication to give chemical engineers hands-on experience in fabricating and testing miniature chemical sensing systems and the opportunity to work with engineering students from other disciplines. Senior projects, summer internships, and research projects will be offered to high school students, undergraduate and graduate students, especially women, based on the planned research to help their long-term career development in academia and industry.
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0.915 |
2003 — 2007 |
Christofides, Panagiotis [⬀] Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Itr: Feedback Control of Thin Film Microstructure Using Multiscale Distributed Models @ University of California-Los Angeles
Research: The objective of this research program is to develop a comprehensive theoretical, computational and experimental program for nonlinear model-based feedback control of film microstructure in chemical vapor deposition of thin films using multi-scale distributed models. Distributed control theory for multi-scale distributed models will be developed and employed to produce novel analytical feedback controller and estimator designs that enforce the desired stability, performance and robustness specifications in the multi-scale closed-loop system and achieve thin film microstructure with desired characteristics (e.g., reduced roughness). The motivation for this work is provided by: a) the increasing need for control of thin film microstructure, b) the high-sensitivity of thin film microstructure with respect to arbitrary variations in operating conditions, and c) the lack of systematic and comprehensive framework for feedback control that can shape thin film microstructure on-line.
To realize the desired objective, the proposed research will focus on the following projects:
1. The development of computationally efficient and accurate algorithms for order reduction of multi-scale distributed models.
2. The design of multi-scale reduced-order estimators and nonlinear feedback controllers that can shape material microstructure in a desirable way.
3. The integration of on-line diagnostic techniques with multi-scale distributed models and the study of fundamental control theoretic issues.
4. The application of the control algorithms to simulated thin film growth problems.
5. The development and experimental application of a real-time integrated measurement/control system to a lab-scale plasma-enhanced CVD process at UCLA to control thin film microstructure and spatial variations.
Impact:
The research will provide a fundamental understanding of the nature of the model reduction, optimization and control problems for multi-scale distributed systems, develop concrete control algorithms that can be readily implemented in practice, illustrate the application of the control methods and derive tuning guidelines for the implementation of the controllers. The development of a software package and the collaboration with companies will be the means for transferring the results of the research to the industrial sector. The integration of the research into education would benefit educators teaching advanced-level classes in process control and semiconductor manufacturing. The new control algorithms are expected to lead to significant advances in our ability to shape, on-line, material microstructure in the chemical vapor deposition of thin films. Information Technology (IT) serves both as a major enabler and beneficiary of the proposed research. On the one hand, IT developments, such as advances in high-confidence computing, sensing, data processing, and software systems, provide an indispensable mechanism for realizing the project goals. In turn, the research has the potential to further advance IT developments through improved semiconductor manufacturing technologies that represent an integral part of modern-day IT infrastructure.
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0.915 |
2003 — 2007 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Plasma Enhanced Atomic Layer Deposition: Materials Synthesis and Plasms-Surface Chemistry @ University of California-Los Angeles
Novel electronic materials of nanometer thicknesses are greatly needed for improved performance in a variety of technologically advanced fields including microelectronics, optoelectronics, photonics, and chemical sensors. The leap into controlling thin film quality and composition at an atomic scale requires a novel process and a fundamental understanding of the surface reaction chemistry. This proposal focuses on developing an atomic layer deposition process using a partially ionized gas chemistry, implementing state-of-the-art surface analytical techniques to characterize the surface reactions, and integrating these materials into microelectronic devices to test the electronic performance. The success of this research will provide optimized processing of depositing ultra-thin electronic materials, and lay the foundation of future generations of faster microelectronic devices.
Research outcome will be integrated into three courses developed by the principle investigator at UCLA to maximize the impact of the research, i.e., an undergraduate course entitled Semiconductor Manufacturing Laboratory, a graduate/undergraduate course on Surface and Interface Engineering, and a graduate course on Principles of Plasma Processing. Two female graduate students in the Department of Chemical Engineering will be supported under this program to pursue their Ph.D. studies. Senior research projects and summer positions will be offered to undergraduate students at UCLA, especially women, to work on spectroscopic data collection and analysis outlined in the proposed research and to help their long term career development in academia or industry. Summer internships will also be offered to high school girls through the outreach activities established by the principle investigator to promote the interest of female students in pursuing Science and Engineering when they enter colleges.
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0.915 |
2005 — 2010 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Synthesis and Characterization of Erbium Doped Metal Oxide Photonic Materials For Optoelectronics Application @ University of California-Los Angeles
ABSTRACT
PI: Jane P. Chang Institution: University of California - Los Angeles Proposal Number: 0522534 Title: Synthesis and Characterization of Erbium-Doped Metal Oxide Photonic Materials for Optoelectronics Applications
This research project involves the synthesis of erbium doped metal oxide thin films using an atomic layer deposition (ALD) process with -diketonate precursors to enable the incorporation of a high concentration of optically active erbium ions, while minimizing ion-ion clustering/interactions and maintaining the trivalent state of erbium. Specifically, it aims to study the reaction kinetics in an ALD process leading to a controlled doping of Er3+, implement state-of-the-art surface analytical techniques to elucidate chemical coordination and charge state of erbium as a function of erbium concentration, measure the photoluminescence and determine the absorption cross section for erbium ions, and integrate the synthesized erbium doped materials into micro- to nanometer scaled waveguides to test the optical performance. The success of this work will provide optimized processes for synthesizing optically viable erbium doped metal oxide thin films, and lay the foundation of future generations of more efficient optoelectronic devices.
Broad Impact:
The broader impact is in the education and training of graduate, undergraduate, and high school summer intern students through engineering courses and hands-on research. Research outcome will be integrated into two courses developed by the PI to maximize the impact of the research, including an undergraduate laboratory course on Semiconductor Manufacturing and a graduate/undergraduate course on Surface and Interface Engineering. Female graduate students will be supported under this program to pursue Ph.D. studies. Senior research projects and summer positions will be offered to undergraduate students, especially women, to work on spectroscopic data collection and analysis to help their long-term career development in academia or industry. Summer internships will also be offered to female high school students through the outreach activities established by the PI to promote their interest in pursuing Science and Engineering when they enter college.
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0.915 |
2008 — 2012 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Engineering Crystalline Oxides On Wide Band Gap Semiconductors @ University of California-Los Angeles
Abstract ECCS-0801996 J.Chang, UCLA
The objective of this research is to engineer multifunctional dielectric thin films on wide band gap semiconductors for power devices and radio frequency devices, as they have great potential in many national security and civilian applications. The approach is to develop an effective atomic layer deposition process to synthesize epitaxial dielectric thin films on wide band gap semiconductor with improved interfacial and electrical properties.
The intellectual merit of the proposed research is on materials selection, synthesis, interface engineering, and device integration that would enable the design and fabrication of future generations of improved electronic devices. By combining experimental studies using state-of-the-art analytical techniques with theoretical analysis using density functional theory, ultra thin and lattice matched metal oxide thin films will be designed and synthesized on wide band gap semiconductors to enhance the functionalities of power electronics and radio frequency integrated circuits.
The broader impact of the proposed research is on the education and training of graduate, undergraduate, and high school summer intern students through engineering courses and hands-on research. Research outcome will be integrated into two courses developed by the principal investigator to maximize the impact of the research. Two graduate students will be supported under this program to pursue their doctoral studies. Senior research projects and summer internship positions will be offered to undergraduate and high school students, especially women and underrepresented minority students, to work on materials characterization and spectroscopic analysis outlined in the proposed research and to help their long term career development in academia and industry.
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0.915 |
2008 — 2010 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Synthesis of Multifunctional Metal Oxides by Radical Enhanced Atomic Layer Deposition @ University of California-Los Angeles
The objective of this proposal is to understand the role of radicals in atomic layer deposition of complex and multifunctional metal oxide thin films. Specifically, this proposal aims to construct one coaxial waveguide microwave source to effectively dissociate gas molecules in generating energy and flux controlled radicals and implement in-situ quartz crystal microbalance to study the reaction kinetics in an radical-enhanced atomic layer deposition (RE-ALD) process leading to compositionally controlled metal oxide thin films with tailored materials and electronics properties. We will employ several state-of-the-art surface analytical techniques to elucidate chemical coordination and charge state of metal ions, and assess the effect of radicals, compositions, and microstructures on the measured electrical properties of the as-synthesized metal oxide thin films.
If successful, this research will lead to an enabling and novel process that is capable of tuning the functionalities and meeting the increasingly more stringent specifications of these complex metal oxide materials by changing their fundamental characteristics, such as composition, crystallinity, and electronic structures. Defining the process parameters to achieve these objectives will make metal oxides essential building blocks for many technologically important applications such as electronic components, thermal barrier coatings, catalysts, laser optic coatings, biomedical coatings, chemical sensors, and solid oxide fuel cells. The proposed work will also contribute to the education and training of graduate, undergraduate, and high school summer intern students through engineering courses and hands-on research.
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0.915 |
2009 — 2016 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Engineering Electrolyte Materials in Energy Storage Devices @ University of California-Los Angeles
NON-TECHNICAL DESCRIPTION The global annual energy consumption is increasing at an unprecedented rate, yet the conventional energy sources are becoming more limited and the general energy use is getting more expensive. Therefore, creative solutions in more efficient energy conversion, storage, and saving become much more critical in the coming decades. In addition, to exploit alternative energy sources, new energy-saving technologies using renewable power sources and more efficient energy storage systems are emerging. Solid oxide fuel cells are regarded as the highest in efficiency amongst all fuel cells and have the promise of low cost in numerous applications. Rechargeable lithium-ion batteries, which have dominated the market in portable electronic industry, are viable candidates for powering an increasingly diverse range of devices. In this proposal, we aim to synthesize and optimize a critical and active component in these energy storage devices at miniaturized scales, the electrolyte, to further improve the energy storage density and improve the device performance. The proposed research will serve as a training platform for future generations of engineers, who are not only experienced with cutting-edge research techniques, but are also creative, conscientious and committed to solving the global energy crisis.
TECHNICAL DETAILS The objective of this research is to synthesize metal oxide based electrolyte materials in miniaturized energy storage devices and investigate their structural properties and ionic conductivity to understand the microscopic pathways governing their performance as an electrolyte, thereby controlling and improving its efficiency. To rationally design an effective electrolyte material with a large contact area with the electrodes, this work will elucidate the growth mechanism of these materials by atomic layer deposition and its effect on controlling the electrolyte?s composition and microstructure and integrate these thin film materials conformally over miniaturized three-dimensional complex structures and assess their ionic conductivity and efficiency. As these metal oxide materials find broader applications in areas including electronics, optics, sensors, and energy storage, this research is transformational in realizing design and optimization of materials with multiple functionalities. This research has a broader impact through the education and training of the future generations of engineers who are skilled with state-of-the-art research techniques and are conscientious, creative, and committed to solve the global energy crisis.
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0.915 |
2010 — 2015 |
Hoek, Eric Srivastava, Mani (co-PI) [⬀] Liao, James (co-PI) [⬀] Chang, Jane Estrin, Deborah (co-PI) [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Engineering Infrastructure Renovation For Sustainability Research @ University of California-Los Angeles
This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).
This project involves the renovation of sections of Boelter Hall, part of UCLA's School of Engineering and Applied Science. The building houses the departments of Chemical and Biomolecular Engineering, Civil and Environmental Engineering, and Computer Science. The unifying theme of the space to be renovated is its use for "sustainability research." Four research "collaboratories" will be created and core mechanical, electrical and plumbing infrastructure will be renovated to support these. The collaboratories are: a Structural Sustainability Collaboratory, a Bio-Sustainability Collaboratory, an Energy and Water Sustainability Collaboratory, and a Sustainable Enviro-Bio-Nano-Technology Collaboratory.
The renovated facility will be used for research in technologies for renewable and alternative energy production and storage, and environmental engineering. Some of the research goals include: the development of the biosynthesis of pharmaceuticals to replace current processes involving organic solvents and to convert renewable resources into pharmaceuticals; a study of the effect of biofuel combustion products on mammalian cells; the discovery, development and optimization of new methods for designing metabolic pathways, new enzymes for biosensors, and new biodegradable polymers; understanding microbial processes at the sub-cellular level; the biotransformation of pollutants, nanoparticles, and pathogens to solve hazardous waste problems and improve public health; and understanding how site-specific physiological and hydrogeochemical conditions and engineered manipulations affect biodegradation activities, microbial community structures, and the fate and transport of pollutants.
In addition to providing infrastructure for research, the renovated facility will be used by undergraduates, graduate students and post-doctoral researchers for research training. The outcomes of some of the research activities may translate into technologies that industry can commercialize and that society can use to provide new energy streams, enhance environmental stewardship, and mitigate the adverse consequences of environmental change.
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0.915 |
2012 — 2022 |
Chang, Jane Carman, Greg |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Nsf Nanosystems Engineering Research Center For Translational Applications of Nanoscale Multiferroic Systems Tanms @ University of California-Los Angeles
NSF Nanosystems Engineering Research Center for Translational Applications ofNanoscale Multiferroic Systems (T ANMS), Greg P. Carman, University of California Los Angeles (Lead), University of California Berkeley, Cornell University, California State University Northridge, and ETH Zurich Switzerland (Foreign) ABSTRACT
Translational Applications of Nanoscale Multiferroic Systems (TANMS) has three primary goals. The first goal is to transition the unique discoveries that the TANMS team has made on nanoscale multiferroic materials, i.e. control of magnetic spin structures with electric fields, into three applications: memory devices, miniaturized antenna systems, and nanoscale motors. The second goal is to uncover fundamentally new understandings of the physics governing the unique intrinsic coupling present in multiferroic materials at the nanoscale. This is accomplished through a combination of novel multi-scale modeling efforts and innovative multiferroic material development/testing processes. The third major goal is to develop an inclusive educational environment to guide the next generation of engineers through engineering research, project management, and entrepreneurial endeavors. The first two goals address a barrier that prevents further miniaturization of electronic devices. Eliminating this barrier has a significant impact on our society's reliance on conventional magnetic generation systems that are intrinsically energy inefficient in the small scale. TANMS premise is that electric field induced magnetic spin reorientation present in nanoscale multiferroics overcomes this efficiency problem and produces a wide range of miniaturization opportunities previously considered implausible. For the third goal, T ANMS focuses on transforming the engineering educational system by integrating students and teachers at all levels to promote diversity, participate in transitional research, and engender the notion that engineering and business careers are closely intertwined.
Intellectual Merit: For the last several decades engineering has made significant progress toward miniaturizing electromagnetic devices, e.g. cell phones, computers, and wireless communication devices. However, the field is quickly reaching an impasse to further miniaturization mainly due to a reliance on inefficient electrical currents to produce and control magnetism in the small scale. TANMS seeks to establish a radically different approach relying on intrinsic magnetic property manipulation, i.e. magnetic spin reorientation, in a multiferroic. If properly designed, this magnetoelectric coupling is extremely large in the small scale where exchange coupling tightly binds adjacent atomic level spins creating single magnetic domains. The introduction of this new approach into applications for electromagnetic control provides a revolutionary advancement dramatically different from inefficient current based methods used in a wide range of electromagnetic devices including memory, antennas, and motors.
Broader Impact: A major goal of the Center is to construct an environment which provides an educational pathway from cradle to career by relying on the unique I 0-year time horizon provided by an ERC. This is achieved through two synergistic programs, one during the academic school year and the other during the summer months, to introduce k-12 apd undergraduate students to engineering research and business opportunities throughout their educational career. Major consideration is also given to developing a heterogeneous workforce, representative of the national population, to overcome historical paradigms in engineering that limit diversity. T ANMS members strongly believe that students with diverse backgrounds have not been adequately educated regarding the benefits of being an engineer. While our society continues to glorify athletes and celebrities, the wealth of fulfilling opportunities available to engineers is not sufficiently articulated. TANMS strives to achieve this by establishing a new approach intertwining engineering research with business entrepreneurial endeavors.
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0.915 |
2016 — 2019 |
Spokoyny, Alexander (co-PI) [⬀] Chang, Jane Bouchard, Louis Carman, Greg Tolbert, Sarah [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Mri: Acquisition of a Cryogen-Free, State-of-the-Art, Superconducting Quantum Interference Device (Squid) Magnetometer @ University of California-Los Angeles
With this award from the Major Research Instrumentation Program (MRI) and support from the Chemistry Research Instrumentation Program (CRIF), Professor Sarah Tolbert from the University of California Los Angeles and colleagues Louis Bouchard, Greg Carman, Jane Chang and Alexander Spokoyny have acquired a cryogen-free, state-of-the-art, superconducting quantum interference device (SQuID) magnetometer. This instrument consists of two superconductors separated by very thin insulating layers. Such a magnetometer is capable of detecting very small magnetic fields including those produced in living organisms. The magnetic flux is controlled by voltage variations using either direct (DC) or alternating voltages (AC). To be able to measure such small variations in magnetic fields, the instrument operates at very low temperatures achieved with the use of liquid helium, a limited resource. To avoid waste of such a valuable element, this instrument recycles the helium making it cryogen (coolant) free. This magnetometer is placed in a user facility and plays a role in the development of human resources in scientific research. It enriches the research experience of many graduate students, postdoctoral fellows and undergraduate researchers. It serves as a resource for users across the California State University System which is heavily populated by underrepresented students. In general, magnetometers have very diverse applications, ranging from locating submerged metal-containing ship wrecks and submarines to measuring Earth's magnetic fields to measuring tiny magnetic fields in the brain or heart.
The award is aimed at enhancing research and education at all levels, especially in areas such as (a) understanding thermogravimetric materials for thermal energy harvesting; (b) studying magnetic states in condensed matter systems; (c) studying boron-rich clusters as building blocks for molecular and organic magnets; (d) exploring the use of multiferroic materials for spintronic devices; (e) studying single molecule magnets; (f) studying quantum anomalous half effect and topological superconductors, and (g) applying multiferroics as new materials.
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0.915 |
2018 — 2021 |
Chang, Jane |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Atomic Layer Etching Through Controlled Surface Chemistry @ University of California-Los Angeles
Complex multi-layer structures (heterostructures) of thin metal films are essential for developing advanced nano-electronic and nano-photonic devices that have important applications in sensors, high-density information storage and magneto-optical devices. Since many metals that are suitable for such devices have low reactivity, their controlled etching is a very challenging task. The objective of the proposed research is to understand the underlying surface reaction kinetics that produce directional changes in metal composition and properties, thereby enabling the development of a controlled etching process with the chemical contrast needed to selectively remove the materials with atomic level precision.
The proposed research project will focus on: a) delineating the reaction mechanisms underlying a viable directional atomic layer etch process to control the etch rate and selectivity in the patterning of complex metal heterostructures, b) characterizing the surface reactions leading to self-limited reaction and tailored composition, c) measuring the type and concentration of the reaction products to confirm the reaction mechanisms, and d) integrating these sequential reaction steps with a complex metal heterostructure to examine the attainable profiles. A successful completion of the project may lead to atomic level control in metal removal, greater selectivity in patterning complex metal heterostructures, better control in achieving high density in device integration, and will lay the foundation to systematically improve the precise patterning of even more complex material systems and architectures. The data generated from the proposed research will be broadly disseminated to the research community. Research outcomes will be integrated into an existing graduate and undergraduate course on Plasma Processing. Two graduate students will be supported to pursue Ph.D. degrees in the multidisciplinary field of Plasma Science and Engineering. Undergraduate and high school students from underrepresented groups will be recruited to pursue senior research projects and summer research internships. Projects will be offered to female high school students participating in a Technology Camp to promote their interests in pursuing careers in Science and Engineering.
This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
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0.915 |
2022 — 2025 |
Chang, Jane Sautet, Philippe |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Self-Limited Etching For Atomic Scale Surface Engineering of Metals: Understanding and Design @ University of California-Los Angeles
All solids are terminated by a surface. To control the composition and structure of a surface, chemically selective and spatially accurate modification processes with atomic-level precision are required. This is particularly true for the semiconductor industry where device feature sizes have entered the single-digit nanometer scale. To enable the fabrication of future nanodevices, this project seeks to develop methods to selectively and directionally etch industrially significant metals. Traditionally, metal etching and patterning has been performed by expositing the surface to an acid. However, such an approach cannot be used for nanofabrication because of its poor selectivity, non-directionality, and poor etch-depth control. Plasma etch processes constitute a significant improvement in directional control, but these processes can suffer from metal redeposition. Atomic layer etching (ALE) offers a promising alternative. ALE is a two-step self-limiting cyclic process where the metal surface is first modified by a plasma process and then is exposed to a precursor that selectively etches the modified surface. While having the potential to address all the aforementioned drawbacks of etch processes, a thorough understanding of the plasma and surface reaction mechanisms for important metals such as Ni and Cu is needed. This proposal seeks to fill this knowledge gap with a comprehensive computational chemistry approach. The project integrates research and training of Ph.D. and undergraduate students at the frontier of theoretical modeling and surface engineering process design and discovery. These students will be well prepared by the broad training on electronic structure calculations, algorithms of artificial intelligence and data science, surface chemistry experiments, and understanding of experimental data, capabilities, and limitations.<br/><br/>This computational/experimental research program focuses on developing atomic layer etch (ALE) processes for the layer-by-layer removal of metal films. The reactive ALE process to be modelled starts with a metal surface modification step under plasma conditions to convert surface metal atoms to a surface compound that, when exposed to an etching agent, forms volatile metal-complexes that desorb, exposing the etched metal surface. The modification step will be modelled using molecular dynamics (MD) simulations with neural network potentials (NNPs), considering realistic initial kinetic energy for the trajectories. The NNP parameters will be identified using a training data set generated using density functional theory (DFT) based calculations. The results of plasma modification machine-learning MD simulations will be verified with surface modification experiments in an Inductively Coupled Plasma (ICP) chamber. For the etching reaction step, a thermodynamic database of energy will first be constructed as a function of etchant, substrate, modifiers, and process conditions. The thermodynamic database will be used to propose feasible etching chemistries. For experimentally validated cases, a detailed computational mechanistic exploration of reaction elementary steps for the etching reaction will determine the size of kinetic barriers for key low-energy pathways. Collectively, this methodology will result in an enhanced understanding of self-limiting surface reactions as well as the definition of optimal reactants to accurately engineer metallic surfaces. Educational and outreach activities supported by this program include partnering with the UCLA Center for Excellence in Engineering and Diversity (CEED) to identify top underrepresented minority (URM) students to work on this program (undergraduate student in the first year and high-school student in the second year). Informal science communication will be performed using the educational portals, such as Atomic Scale Design Network (ASDN.net) and NanoHUB (nanohub.org). The research team will create educational pages that bring forth the novel concepts and ideas in the field of atomic scale surface engineering.<br/><br/>This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
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0.915 |