2018 MRS Fall Meeting Home

Symposium ET12 : Harvesting Functional Defects in Energy Materials

2018-11-26   Show All Abstracts

Symposium Organizers

Panchapakesan Ganesh, Oak Ridge National Laboratory
Marina Leite, University of Maryland
Annamaria Petrozza, Istituto Italiano di Tecnologia
Hua Zhou, Argonne National Laboratory

Symposium Support

Advanced Photon Source at Argonne National Laboratory
ET12.01: Revealing Roles of Functional Defects in Semiconductor Solar Cells
Session Chairs
Filippo De Angelis
Marina Leite
Monday PM, November 26, 2018
Hynes, Level 3, Room 313

1:30 PM - ET12.01.01
The Versatility of Mesoscopic Solar Cells

Anders Hagfeldt1

EPFL1

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2:00 PM - ET12.01.02
Active Materials and Interfaces for Stable Perovskite Solar Cells

Antonio Abate1

Helmholtz Berlin1

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2:15 PM - ET12.01.03
Role of Functional Defects in Cu2ZnSnS4 Solar Cells

Sai Gautam Gopalakrishnan1,Kuang Yu1,Emily Carter1

Princeton University1

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2:45 PM - ET12.01.04
Assessing the Role of Hydrogen in Fermi-Level Pinning in Chalcopyrite and Kesterite Solar Absorbers from First-Principles Calculations

Joel Varley1,Tadashi Ogitsu1,Vincenzo Lordi1,Kimberly Horsley2,Alex DeAngelis2,Nicolas Gaillard2

Lawrence Livermore National Laboratory1,University of Hawaii2

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3:00 PM -
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3:30 PM - ET12.01.05
Defects in Polycrystalline Solar Cell Absorbers—Addressing the Materials Science Paradigm at the Nanoscale

Mariana Bertoni1

Arizona State University1

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4:00 PM - ET12.01.06
Probing Defects in Solar Cell Materials Through Microscale-Resolved Tomography

John Howard1,Elizabeth Tennyson1,Bernardo Neves1,2,Marina Leite1

University of Maryland1,Federal University of Minas Gerais2

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4:15 PM - ET12.01.07
The Role of Hydrogenation on Defect Passivation and Enhanced Performance of GaInNAs Solar Cells

Amrit Kaphle1,Ganga Neupane1,Vincent Whiteside2,Collin Brown2,Khalid Hossain3,Mohamed Khalfioui4,Mathieu Leroux4,Ian Sellers2,Parameswar Hari1

Univ of Tulsa1,The University of Oklahoma2,Amethyst Research Inc3,CRHEA-CNRS4

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4:30 PM - ET12.01.08
Ab Initio Defect Characterisation of Candidate Solar Absorber Sb2Se3

Christopher Savory1,2,Laurie Phillips3,Jon Major3,David Scanlon1,4,2

University College London1,Thomas Young Centre2,University of Liverpool3,Diamond Light Source Ltd.4

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4:45 PM - ET12.01.09
Device Model for Intermediate Band Materials

Eduard Dumitrescu1,Matthew Wilkins1,Jacob Krich1

University of Ottawa1

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2018-11-27   Show All Abstracts

Symposium Organizers

Panchapakesan Ganesh, Oak Ridge National Laboratory
Marina Leite, University of Maryland
Annamaria Petrozza, Istituto Italiano di Tecnologia
Hua Zhou, Argonne National Laboratory

Symposium Support

Advanced Photon Source at Argonne National Laboratory
ET12.02: Design and Control of Functional Defects in Halide Perovskites for Solar Harvests
Session Chairs
Annamaria Petrozza
Rama Vasudevan
Tuesday AM, November 27, 2018
Hynes, Level 3, Room 313

8:00 AM - ET12.02.01
Managing Defects in Metal Halide Perovskite Thin Films

Vladimir Bulović1

Massachusetts Institute of Technology1

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8:30 AM - ET12.02.02
Which Defects Matter in Perovskite Photovoltaics?

Joanne Etheridge1,Wei Li2,Mathias Rothmann3,Yen Yee Choo1,Amelia Liu1,Ye Zhu4,Udo Bach1,Yi-Bing Cheng2

Monash University1,Wuhan University of Technology2,University of Oxford3,The Hong Kong Polytechnic University4

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9:00 AM - ET12.02.03
Understanding Perovskite PV Materials from a Defect Perspective

Yi-Yang Sun1

Shanghai Institute of Ceramics, Chinese Academy of Sciences1

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9:15 AM - ET12.02.04
Heterovalent Doping and Defect Formation in Metal Halide Perovskite Material

Pabitra Nayak1,Michael Sendner2,Bernard Wenger1,Zhiping Wang1,Kshama Sharma3,Robert Lovrincic2,P. K. Madhu3,Henry Snaith1

University of Oxford1,InnovationLab2,TIFR Centre for Interdisciplinary Sciences3

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9:30 AM - ET12.02.05
Passivation and Photo-Brightening in Metal Halide Perovskites

Bernard Wenger1,Julian Godding1,Henry Snaith1

University of Oxford1

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9:45 AM -
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10:15 AM - ET12.02.06
Defect Photochemistry of Lead-Halide Perovskites

Filippo De Angelis1

CNR-ISTM1

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10:45 AM - ET12.02.07
Broadband Excitonic and Trap-Assisted Emission in Cs3Bi2I9 Nanocrystals

Daniele Cortecchia1,Giuseppe Paternò1,Nimai Misra1,Alex J. Barker1,Zhiya Dang1,Guglielmo Lanzani1,Liberato Manna1,Annamaria Petrozza1

Istituto Italiano di Tecnologia1

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11:00 AM - ET12.02.08
Tailoring the Broadband Emission Properties of 2D Perovskites Through Synthetic Design

Daniele Cortecchia1,Tetiana Borzda1,Stefanie Neutzner1,Benny Febriansyah2,Jason England2,Annamaria Petrozza1

Istituto Italiano di Tecnologia1,Nanyang Technological University2

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11:15 AM - ET12.02.09
Investigation of Structural and Compositional Defects in Hybrid Organic-Inorganic Triple Cation Perovskite Films and their Effect on Optoelectronic Properties

Tiarnan Doherty1,Stuart Macpherson1,Duncan Johnstone1,Andrew Winchester2,Mojtaba Abdi Jalebi1,Julia Parker3,Paul Quinn3,Giorgio Divitini1,Paul Midgley1,Keshav Dani2,Hugh Simons4,Samuel Stranks1

University of Cambridge1,Okinawa Institute of Science and Technology2,Diamond Light Source3,Technical University of Denmark4

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11:30 AM - ET12.02.10
Compensation of Intrinsic Point Defects by Extrinsic Substitution in Lead-Based Mixed Halide Hybrid Perovskites

Arun Kumar Mannodi Kanakkithodi1,Ji-Sang Park2,Duyen Cao1,Nari Jeon1,Alex Martinson1,Maria Chan1

Argonne National Laboratory1,Imperial College London2

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11:45 AM - ET12.02.11
Polarization, Mixed Conductivity and Deep Level Defects in Organometallic Halide Perovskites

Mahshid Ahmadi2,Artem Musiienko1,Pavel Moravec1,Roman Grill1,Igor Vasylchenko1,Jakub Pekarek1,Katka Ridzonova1,Belas Eduard1,Jeremy Tisdale2,Bin Hu2,Eric Lukosi3

Institute of Physics, Charles University1,Joint Institute for Advanced Materials, University of Tennessee2,The University of Tennessee, Knoxville3

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ET12.03: Elucidating Roles of Defects in Operating Fuel Cell Materials and Devices
Session Chairs
Daniele Cortecchia
Panchapakesan Ganesh
Tuesday PM, November 27, 2018
Hynes, Level 3, Room 313

1:30 PM - ET12.03.01
Surface-Terminating Grain Boundaries as Active Sites for Oxygen Electrochemical Reactions

Sossina Haile1,Ichiro Takeuchi2,Robert Usiskin3

Northwestern University1,University of Maryland2,Max Planck Institute for Solid State Research3

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2:00 PM - ET12.03.02
Dopant and Vacancy Distribution in Doped Ceria and Its Influence on the Oxide Properties—Theoretical Approach

Natalia Skorodumova

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2:30 PM - ET12.03.03
Atomic-Scale Structure and Stability of Dopant-Defect Complexes at Misfit Dislocations in CeO2/MgO Heterointerfaces

Pratik Dholabhai1

Rochester Institute of Technology1

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2:45 PM - ET12.03.04
Decoding the Surface Instability of Perovskite Oxides at the Atomic Level—Sr Segregation in La1-xSrxMnOδ SOFC Electrodes

Franziska Hess1,Bilge Yildiz1

Massachusetts Institute of Technology1

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3:00 PM -
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3:30 PM - ET12.03.05
A Protonated Brownmillerite Electrolyte for Superior Low-Temperature Proton Conductivity

Pu Yu

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4:00 PM - ET12.03.06
Tuning Brownmillerite Phase Stability—Bottom Up and Top Down

Le Wang1,Zhenzhong Yang1,Yingge Du1,Mark Bowden1,Peter Sushko1

Pacific Northwest National Laboratory1

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4:15 PM - ET12.03.07
Defect Engineering of Bulk Al2O3 and the Al2O3/Al Interface to Enhance Its Hydrogen Permeation Barrier Properties

Vrindaa Somjit1,Bilge Yildiz1

Massachusetts Institute of Technology1

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4:30 PM - ET12.03.08
Discovery of Proton-Conducting Ceramic Fuel Cell Materials Using Genetic Algorithm

Yeong-Cheol Kim1,Ki-Yung Kim1,Yurie Kim2,Jason Kim2,Jun-Yeong Jo1

KoreaTech1,Pohang University of Science and Technology2

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4:45 PM - ET12.03.09
Control of Oxygen-Vacancy Distribution and Intergranular Amorphous Phases to Boost the Ionic Conduction in Perovskite-Oxide Electrolytes

Sung-Yoon Chung1

Korea Advanced Institute of Science and Technology1

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ET12.04: Poster Session: Harvesting Functional Defect in Energy Materials
Session Chairs
Panchapakesan Ganesh
Hua Zhou
Tuesday PM, November 27, 2018
Hynes, Level 1, Hall B

8:00 PM - ET12.04.01
Preparation of Sol-Gel ZnO Layer Under Various Humidity for Organic Solar Cell Application

Hyojin Song1,Dongwook Ko1,Seobum Chu1,Jongbok Kim1

Kumoh National Institute of Technology1

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8:00 PM - ET12.04.02
Hydration of BaCe1-x-y-zZrxYyYbzO3-δ Using Genetic Algorithm

Ki-Yung Kim1,Yurie Kim2,Jason Kim2,Young-Bok Kim1,Jun-Yeong Jo1,Dong-Gung Shin1,In-Gyu Choi1,Yeong-Cheol Kim1

KoreaTech1,Pohang University of Science and Technology2

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8:00 PM - ET12.04.03
Equilibrium Space Charges Effect at Halide Perovskite Interactions—The Role of the Ionic Charge Conductions

Alessandro Senocrate1,Gee Yeong Kim1,Joachim Maier1

Max Planck Institute for Solid State Research1

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8:00 PM - ET12.04.04
Fano Defect Induced Resonant Thermoelectric Transport in Metallic Nanowires

Chumin Wang1,Fernando Sanchez1,Vicenta Sanchez1

Universidad Nacional Autonoma de Mexico1

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2018-11-28   Show All Abstracts

Symposium Organizers

Panchapakesan Ganesh, Oak Ridge National Laboratory
Marina Leite, University of Maryland
Annamaria Petrozza, Istituto Italiano di Tecnologia
Hua Zhou, Argonne National Laboratory

Symposium Support

Advanced Photon Source at Argonne National Laboratory
ET12.05: Harvesting Functional Defects for Photoelectrochemistry
Session Chairs
Joanne Etheridge
Hua Zhou
Wednesday AM, November 28, 2018
Hynes, Level 3, Room 313

8:00 AM - ET12.05.01
Effect of Surface and Bulk Defects on Hot Carrier Transport in Ultra-Thin Metallic Films

Jeremy Munday1

University of Maryland1

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8:30 AM - ET12.05.02
Precise Design of Photocatalyst Heterostucture with Controllable Photo-Generated Carrier Behaviors for Solar to Fuel Conversion

Kan Zhang

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8:45 AM - ET12.05.03
Dispelling the Myth of Passivated Codoping in TiO2

Benjamin Williamson1,Nicholas Chadwick1,2,Sanjayan Sathasivam1,Claire Carmalt1,Ivan Parkin1,David Scanlon1,3

University College London1,Bio Nano Consulting2,Diamond House3

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9:00 AM - ET12.05.04
First Principles Modelling of Polaron Formation in TiO2 Polymorphs

Razak Elmaslmane1,Matthew Watkins2,Keith McKenna1

University of York1,University of Lincoln2

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9:15 AM - ET12.05.05
Anomalous Conductivity Tailored by Domain Boundary Transport in Crystalline Bismuth Vanadate Photoanodes

Wenrui Zhang1,Danhua Yan1,Jun Li1,Qiyuan Wu2,Jiajie Cen2,Lihua Zhang1,Alexander Orlov2,Huolin Xin1,Jing Tao1,Mingzhao Liu1

Brookhaven National Laboratory1,Stony Brook University, The State University of New York2

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9:30 AM -
BREAK


10:00 AM - ET12.05.06
Tuning Catalytic Properties for Water Splitting with Functional Defects

Xiaolin Zheng1

Stanford University1

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10:30 AM -
Discussion Time


10:45 AM - ET12.05.08
Enhancing Water-Splitting Performance of Hematite Photoanodes via Hydrogenation Induced Defects

Hariom Jani1,2,Mengyuan Zhang3,Lydia Wong3,Thirumalai Venkatesan1,2

NanoCore1,National University of Singapore2,Nanyang Technological University3

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11:00 AM - ET12.05.09
Minimizing the Grain Boundary Effect by Dopant Segregation on Hematite Photoelectrodes for Solar Water Oxidation

Flavio De Souza1,Aryane Tofanello1,Andre Luiz Freitas1,2

University Federal-ABC1,University of California, Santa Cruz2

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11:15 AM - ET12.05.10
The Role of Fluorine Doped Tin Oxide Substrate-Hematite Electrodes Interface in the Solar Water Oxidation Performance

Andre Luiz Freitas1,Renato Goncalves2,Flavio De Souza1

UFABC1,USP2

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11:30 AM - ET12.05.11
Defect Engineering in 1D Ti-W Oxide Nanotube Arrays and Their Correlated Photoelectrochemical Performance

Nageh Allam1

American University in Cairo1

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11:45 AM - ET12.05.12
The Effect of Defects Created in Microporous Vanadosilicate AM-6 Thin Films in Photocatalysis

Burcu Akata Kurc1,Duygu Kuzyaka1

Middle East Technical University1

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ET12.06: How Functional Defects Dictate Semiconductors
Session Chairs
Panchapakesan Ganesh
Ekaterina Pomerantseva
Wednesday PM, November 28, 2018
Hynes, Level 3, Room 313

1:30 PM - ET12.06.01
Dopability of Semiconductors in Relation to Chemical Composition and Crystal Structure

Vladan Stevanović1

Colorado School of Mines1

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2:00 PM - ET12.06.02
Predictive Design of Defects in Non-Ideal Ternary Nitrides—Off-Stoichiometry, Contamination and Disorder

Jie Pan1,Jacob Cordell1,2,Andriy Zakutayev1,Adele Tamboli1,Stephan Lany1

National Renewable Energy Laboratory1,Colorado School of Mines2

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2:15 PM - ET12.06.03
Effect of Extended Defects on Electrical Properties in Earth Abundant Inorganic Materials

Ji-Sang Park1,Sunghyun Kim1,Maria Chan2,Aron Walsh1

Imperial College London1,Argonne National Laboratory2

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2:30 PM -
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3:30 PM - ET12.06.04
Oxygen Vacancy in Complex Oxides—The Good, the Bad and the Ugly

Ho Nyung Lee1

Oak Ridge National Laboratory1

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4:00 PM - ET12.06.05
Drastically Improved UV Photoluminescence from ZnO Nanowires by Selective Introduction of Surface Oxygen Vacancies

Mingzhao Liu1,Danhua Yan1,Wenrui Zhang1,Jiajie Cen2

Brookhaven National Laboratory1,Stony Brook University, The State University of New York2

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4:15 PM - ET12.06.06
Passivating Defects in Sn-Based Oxides—SiO2 Replaces Thermal Treatments

Monica Morales-Masis1,2,Esteban Rucavado2,Migle Grauzinyte3,Jose A. Flores-Livas3,Quentin Jeangros2,Federica Landucci2,Stefan Goedecker3,Aicha Hessler-Wyser2,Christophe Ballif2

MESA+ Institute of Nanotechnology. University of Twente1,Ecole Polytechnique Federale de Lausanne2,Universität Basel3

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4:30 PM - ET12.06.07
Probing Defects in Au- and Te-Hyperdoped Si with Deep Level Transient Spectroscopy and Carrier Lifetime Measurements

Shao Qi Lim1,Christopher Tao-Kuan Lew2,Brett Johnson2,Philippe Chow3,Senali Dissanayake4,Meng-Ju Sher4,Quentin Hudspeth3,Jeffrey Warrender3,Jim Williams1

Australian National University1,University of Melbourne2,US Army ARDEC - Benet Laboratories3,Wesleyan University4

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4:45 PM - ET12.06.08
Role of Vacancy-Type Defects in Au-Hyperdoped Si Fabricated by Ion Implantation and Pulsed Laser Melting

Wenjie Yang1,Naheed Ferdous2,Philippe Chow3,James Gaudet4,Peter Simpson4,Austin Akey5,Jeffrey Warrender3,Michael Aziz5,Elif Ertekin2,Jim Williams1

Australian National University1,University of Illinois at Urbana-Champaign2,U.S. Army ARDEC- Benet Laboratories3,University of Western Ontario4,Harvard University5

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2018-11-29   Show All Abstracts

Symposium Organizers

Panchapakesan Ganesh, Oak Ridge National Laboratory
Marina Leite, University of Maryland
Annamaria Petrozza, Istituto Italiano di Tecnologia
Hua Zhou, Argonne National Laboratory

Symposium Support

Advanced Photon Source at Argonne National Laboratory
ET12.07: Functional Defects in Electrochemical Energy Storage and Conversions
Session Chairs
Marina Leite
Petro Maksymovych
Thursday AM, November 29, 2018
Hynes, Level 3, Room 313

8:00 AM - ET12.07.01
Complex Dynamics of Novel Polyborane Solid Electrolytes

Joel Varley1

Lawrence Livermore National Laboratory1

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8:30 AM - ET12.07.02
1D, 2D and 3D Defect Dynamics in Li Intercalation Compounds

Y. Shirley Meng1,2,Minghao Zhang1,2

University of California, San Diego1,Sustainable Power and Energy Center (SPEC)2

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9:00 AM - ET12.07.03
The Ordering and Disordering of Functional Charged Point Defects in NaTMO2

Xin Li1

Harvard University1

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9:15 AM - ET12.07.04
Defect-Enhanced Phase Transformation Kinetics in LiFePO4

Ming Tang1,Liang Hong1,Kaiqi Yang1

Rice University1

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9:30 AM - ET12.07.05
Charge Storage and the Critical Role of Defects—Case Study of 2D Layered Delta MnO2 and VO2(B) Nanosheets

Scott Misture1,Peng Gao1,Robert Koch1,Madeleine Flint1,Alec Ladonis1

Alfred University1

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9:45 AM - ET12.07.06
Guiding Principles for Designing Highly-Efficient Metal-Free Carbon Catalysts

Lipeng Zhang1,Zhenhai Xia2

Beijing University of Chemical Technology1,University of North Texas2

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10:00 AM -
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10:30 AM - ET12.07.07
The Role of Chemically Preintercalated Cationic Species at the Interlayer Region of Layered Oxides in Electrochemical Energy Storage

Ekaterina Pomerantseva1

Drexel University1

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11:00 AM - ET12.07.08
Tailoring Mobile Defects for Fast Ionic Conductors

Yifei Mo1

University of Maryland, College Park1

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11:30 AM - ET12.07.09
Tuning Bifunctional Oxygen Electrocatalysts by Changing A-Site Rare-Earth Element in Perovskite Nickelates

Le Wang1,2,Kelsey Stoerzinger1,Lei Chang2,Junling Wang2,Yingge Du1

Pacific Northwest National Laboratory1,Nanyang Technological University2

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11:45 AM - ET12.07.10
Lifting Electrocatalytic Activity in LaNiO3 Perovskite Films with Helium

Jonathan Petrie1,Thomas Zac Ward1,Anthony Wong1,John Freeland2,Valentino Cooper1,Ho Nyung Lee1

Oak Ridge National Laboratory1,Argonne National Laboratory2

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ET12.08: Mastering Functional Defects for Energy Efficient Ionic and Electronic Materials
Session Chairs
Xin Li
Hua Zhou
Thursday PM, November 29, 2018
Hynes, Level 3, Room 313

1:30 PM - ET12.08.01
Designing Dopants for Higher Performance TCOs

David Scanlon1

University College London1

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2:00 PM - ET12.08.02
Controlling Surface Mobility and Step Barrier Heights in Oxide Film Growth

Arthur Baddorf1,Alexander Tselev1,Rama Vasudevan1,Anthony Gianfrancesco1,2,Liang Qiao1,Tricia Meyer1,Ho Nyung Lee1,Michael Biegalski1,Sergei Kalinin1

Oak Ridge National Laboratory1,The University of Tennessee, Knoxville2

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2:15 PM - ET12.08.03
Non-Stoichiometry-Induced Metal-to-Insulator Transition in Nickelate Thin Films Grown by Pulsed Laser Deposition

Jongmin Lee1,Kyoung Soon Choi2,Tae Kwon Lee3,Il-Seok Jeong1,Sangmo Kim4,Jaesun Song1,Chung Wung Bark4,Joo-Hyoung Lee1,Jong Hoon Jung3,Jouhahn Lee2,Tae Heon Kim5,Sanghan Lee1

Gwangju Institute of Science and Technology1,Korea Basic Science Institute2,Inha University3,Gachon University4,University of Ulsan5

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2:30 PM - ET12.08.04
Machine Learning Guided Design of Functional Materials with Targeted Properties

Prasanna Balachandran1

University of Virginia1

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3:00 PM -
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3:30 PM - ET12.08.05
Neuromorphic Computing Based on Dynamic Control of Dopants in Organic and Inorganic Materials

A. Talin1

Sandia National Laboratories1

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4:00 PM - ET12.08.06
Low Dimensional Sr1-xTiyNb1-yO3+δ Nanoparticles for Defect-Induced Infrared Light Harvesting

James Dorman1,Tochukwu Ofoegbuna1,Pragathi Darapaneni1

Louisiana State University1

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4:15 PM - ET12.08.07
Exploring Defect-Coupled Polarization Dynamics in Ferroelectrics via Multimodal X-Ray Imaging

Qian Li1,Ben Xu2,Bo Wang3,Joshua Agar4,Hua Zhou1,Nouamane Laanait5,Lane Martin4,Long-Qing Chen3,Sergei Kalinin5,Haidan Wen1

Argonne National Laboratory1,Tsinghua University2,The Pennsylvania State University3,University of California, Berkeley4,Oak Ridge National Laboratory5

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4:30 PM - ET12.08.08
Mapping Potential Energy Landscapes via Electron Beam Induced Atomic Impurity Dynamics

Maxim Ziatdinov1,Ondrej Dyck1,Feng Bao2,Ali Yousefzadi Nobakht3,Rick Archibald1,Kody Law4,Stephen Jesse1,Sergei Kalinin1

Oak Ridge National Laboratory1,The University of Tennessee at Chattanooga2,The University of Tennessee, Knoxville3,The University of Manchester4

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