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  • Sessions listed November 29 – December 2 will be held in-person in Boston.
  • Sessions listed December 6 – 8 will be offered virtually.
  • Sessions listed as available on-demand will be available on our virtual platform November 24 – January 15.

MRS is making frequent changes to the program, which is updated daily. Please check back for updates. Presenters: please refer to official email correspondence from MRS Meetings to confirm your presentation date and time.  Please contact meetings@mrs.org if there are discrepancies.

Symposium CH02—Solid-State Chemistry of New Materials

2021-11-29   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.01: Functional Porous Materials
Session Chairs
Craig Brown
Brent Melot
Monday PM, November 29, 2021
Hynes, Level 3, Room 302

1:30 PM - *CH02.01.01
Dynamically-Controlled Optoelectronic Behavior of Metal-Organic Materials

Natalia Shustova1

University of South Carolina1

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2:00 PM - CH02.01.02
Late News: Host-Guest Catalyst Systems for CO2 Conversion Using Transition Metal Complexes Encapsulated in Metal-Organic Frameworks

Jeffery Byers1,Chia-Kuang Tsung1,Zhehui Li1,Thomas Rayder1,2,Enric Adillon1,3,Banruo Li1,William Thompson1

Boston College1,The Ohio State University2,California Institute of Technology3

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2:15 PM - CH02.01.03
An Architectural Perspective on Heterogeneous Catalysis

Debra Rolison1,Paul DeSario1,Catherine Pitman1,Jeremy Pietron1,Ashley Pennington1,Todd Brintlinger1,Evan Glaser1,Travis Novak1,Rhonda Stroud1,Michelle Johannes1

U.S. Naval Research Laboratory1

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2:30 PM - *CH02.01.04
Gas Storage in Porous Molecular Materials

Eric Bloch1

University of Delaware1

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3:00 PM - *CH02.01.05
Enhancing MOF Performance Through the Introduction of Polymer Guests

Wendy Queen1,Shuliang Yang1,Daniel Sun1,Li Peng1,Vikram Karve1,Natalia Gasilova1,Mehrdad Asgari1,Emad Oveisi1,Olga Trukhina1

École Polytechnique Fédérale de Lausanne (EPFL)1

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3:30 PM - CH02.01
Break


4:00 PM - CH02.01.06
Clathrate Behavior from a Molten Hydrogen-Bonded Organic Framework

Adam Slavney1,Jarad Mason1

Harvard University1

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4:15 PM - *CH02.01.07
Reactivity and Catalysis with Hydride Compounds

Yoji Kobayashi1

King Abdullah University of Science and Technology1

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2021-11-30   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.02: Dielectric, Magnetic and Superconducting Materials I
Session Chairs
Brent Melot
Katharine Page
Tuesday AM, November 30, 2021
Hynes, Level 3, Room 302

10:30 AM - *CH02.02.01
Dielectric Behavior to Identify New Electronic Materials

David Singh1,Xin He2,Patsorn Boon-on3,Ming-Way Lee3,Lijun Zhang2

University of Missouri1,Jilin University2,National Chung Hsing University3

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11:00 AM - CH02.02.02
Tuning La2O3-Type Structure Magnetic Topological Candidates

Madalynn Marshall1,Antonio Moreira dos Santos2,Huibo Cao2,Weiwei Xie1

Rutgers, The State University of New Jersey1,Oak Ridge National Laboratory2

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11:15 AM - CH02.02.03
Highly Improved Ferroelectricity and Reliability in Hf0.5Zr0.5O2 Films Using a HfOxNy Interfacial Layer

Beom Yong Kim1,Hyeon Woo Park1,Yong Bin Lee1,Suk Hyun Lee1,Minsik Oh1,Seung Kyu Ryoo1,In Soo Lee1,Doosup Shim1,Min Hyuk Park2,1,Cheol Seong Hwang1

Seoul National University1,Pusan National University2

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11:30 AM - CH02.02.04
Low-Dimensional Magnetism with Triangular “CuV2” Motifs

Yiran Wang1,Masayuki Fukuda2,Romain Gautier1,Atsushi Miyake3,Sergey Nikolaev2,Hena Das2,Masashi Tokunaga3,Masaki Azuma2,Kenneth Poeppelmeier1

Northwestern University1,Tokyo Institute of Technology2,The University of Tokyo3

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CH02.04: Dielectric, Magnetic and Superconducting Materials II
Session Chairs
Craig Brown
David Singh
Tuesday PM, November 30, 2021
Hynes, Level 3, Room 302

4:00 PM - *CH02.04.01
Tuning Chemical Short Range Order in High-Entropy Oxide Perovskite and Spinel Lattices

Katharine Page1,2,Xin Wang1,Palani Raja Jothi1,Bo Jiang2

The University of Tennessee1,Oak Ridge National Laboratory2

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4:30 PM - CH02.04.02
Late News: Crystal Growth and Design of Defect Pyrochlores and Related High Entropy Oxides

Lucas Pressley1,Angela Torrejon1,W Phelan2,Tyrel McQueen1

Johns Hopkins University1,Los Alamos National Laboratory2

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4:45 PM - CH02.04.04
Intermediate Twinning, Abnormal Grain Growth and Chemical Inhomogeneity—Challenges and Opportunities in Lead-Free Ferroelectrics

Patricia Pop-Ghe1,Monika Amundsen2,Niklas Wolff3,Amna Rubab3,Lorenz Kienle3,Anette Gunnæs2,Eckhard Quandt3,Richard James1

University of Minnesota1,University of Oslo2,Kiel University3

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CH02.05: Poster Session I
Session Chairs
Tuesday PM, November 30, 2021
Hynes, Level 1, Hall B

8:00 PM - CH02.05.01
Toward Durable Multimetal Oxyhalide Intergrowths for Solar Water Splitting

Kaustav Chatterjee1,Roberto dos Reis2,Jaye Harada2,Jette Mathiesen3,Sandra Atehortua Bueno1,Kirsten Jensen3,James Rondinelli2,Vinayak Dravid2,Sara Skrabalak1

Indiana University1,Northwestern University2,University of Copenhagen3

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8:00 PM - CH02.05.02
Highly Reactive Metal Nanoparticles and Their Use as Starting Materials

Andreas Reiß1,Claus Feldmann1

Karlsruhe Institute of Technology1

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8:00 PM - CH02.05.05
Stable Water-Soluble Complexes with Picolinamidine as a Solubilizing Ligand

Raúl Castañeda1,Tatiana Kornilova1,Michael Petronis1,Tatiana Timofeeva1

New Mexico Highlands University1

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8:00 PM - CH02.05.06
CeO2 Aerogel-Supported Nickel for Highly Active and Stable Oxidation of Carbon Monoxide

Travis Novak1,Paul DeSario1,Todd Brintlinger1,Christopher Chervin1,Rhonda Stroud1,Debra Rolison1

U.S. Naval Research Laboratory1

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8:00 PM - CH02.05.08
Influence of the Ti/Si Ratio in the Gel During the Synthesis of a Targeted Silicotitanate on Its Sr2+ Sorption Properties

Toni Tratnjek1,Xavier Deschanels1,Audrey Hertz1,Jeremy Causse1

CEA1

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8:00 PM - CH02.05.09
In Situ Synchrotron XRD Studies of Microstructure Evolution During the Salt-Mediated Coarsening of Nanoporous Metals

Adam Corrao1,2,Gerard Mattei1,2,Christopher Coaty3,Victoria Petrova3,Zhuo Li1,2,Monty Cosby1,2,Taewoo Kim3,David Fenning3,4,Ping Liu3,4,Peter Khalifah1,2

Stony Brook University1,Brookhaven National Laboratory2,University of California, San Diego3,University of California San Diego4

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8:00 PM - CH02.05.10
Phase Transition Pathway by a Co-Operative Pseudo-Jahn Teller Effect Under Microwave Radiation

Kelvin Dsouza1,Daryoosh Vashaee1

North Carolina State University1

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8:00 PM - CH02.05.11
Tunable Novel Magnetic System in an Anti-CeCoIn5 Structure Type

Ranuri Dissanayaka Mudiyanselage1,Chang-Jong Kang1,Kaya Wei2,Tai Kong3,Gabriel Kotliar1,Weiwei Xie1

Rutgers, The State University of New Jersey1,National High Magnetic Field Laboratory2,The University of Arizona3

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8:00 PM - CH02.05.12
Structural Investigation of Cu-Pd, Cu-Pt, and Cu-Ru Nanoparticles

Alexandre Foucher1,Eric Stach1

University of Pennsylvania1

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8:00 PM - CH02.05.13
Ternary Ti-Mo-Fe Nanotubes as Efficient Photoanodes for Solar-Assisted Water Splitting

Nageh Allam1

American University in Cairo1

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8:00 PM - CH02.05.14
Engineering Random Dielectric Nanoscale Strains on Silicon Surface to Enhance Light Emission

Sufian Abedrabbo1,El Mostafa Benchafia1,Ahmad Al-Qawasmeh1,Nuggehalli Ravindra2,Anthony T. Fiory3

Khalifa University of Science and Technology1,New Jersey Institute of Technology2,Integron Solutions3

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8:00 PM - CH02.05.15
Na2FePO4F—A Computational Investigation into a Promising Cathode Material for Sodium-Ion Batteries

Daniel Sykes1,2,Yong-Seok Choi1,2,David Scanlon1,2,3

University College London1,Faraday Institution2,Diamond Light Source3

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8:00 PM - CH02.05.16
Chemical Bonding Revisited—The Potential of Property Maps

Carl-Friedrich Schön1,Steffen van Bergerem1,Christian Mattes1,Leif Kobbelt1,Martin Grohe1,Matthias Wuttig1

RWTH Aachen University1

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8:00 PM - CH02.05.17
Copper(II) Metal-Organic Framework (MOF) with Excellent Antifungal Activity

So-Hyeon Yang1,Mayura Veerana2,Gyungsoon Park2,Youngmee Kim1,Sung-Jin Kim1

Ewha Womans University1,Kwangwoon University2

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2021-12-01   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.06: Materials for Energy and Environment
Session Chairs
Brent Melot
Sara Thoi
Wednesday AM, December 1, 2021
Hynes, Level 3, Room 302

10:30 AM - *CH02.06.01
Barocaloric Effects in Metal–Organic Materials for Solid-State Cooling

Jarad Mason1,Jinyoung Seo1,Jason Braun1,Ryan McGillicuddy1,Adam Slavney1,Selena Zhang1

Harvard University1

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11:00 AM - *CH02.06.02
Design Strategies in Functional Porous Materials for Energy Storage

Sara Thoi1

Johns Hopkins Univ1

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11:30 AM - CH02.06.04
Looking for Glazer Tilts in the Local Structure of Perovskites

Sandra Skjaervoe1,Simon Billinge1

Columbia University1

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CH02.07: Computational Characterization
Session Chairs
Craig Brown
Seán Kavanagh
Wednesday PM, December 1, 2021
Hynes, Level 3, Room 302

4:00 PM - *CH02.07.01
Rutile Rules—Lessons on the Mott-Peierls Transitions

James Rondinelli1

Northwestern University1

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4:30 PM - CH02.07.02
Late News: Identifying New Inorganic Solar Absorbers with Long Carrier Lifetime Using High-Throughput Computational Screening

Geoffroy Hautier1,2,Diana Dahliah2,Guillaume Brunin2,Janine George2,Viet-Anh Ha2,Gian-Marco Rignanese2

Dartmouth College1,University Catholique de Louvain2

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4:45 PM - *CH02.07.03
A Super Fast and Efficient High-Throughput Search Method for Near Room Temperature Superconductors Under High Pressure

Taner Yildirim2,Tianran Chen1,2

University of Maryland1,National Institute of Standards and Technologies2

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5:15 PM - CH02.07.04
The Electronic Entropy Contribution to Some Congruent and Allotropic Phase Transitions

Jonathan Paras1,Antoine Allanore1

Massachusetts Institute of Technology1

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CH02.08: Poster Session II
Session Chairs
Wednesday PM, December 1, 2021
Hynes, Level 1, Hall B

8:00 PM - CH02.08.01
Development of Sodium Hybrid Quasi-Solid Electrolytes Based on Porous NASICON and Ionic Liquids

Alejandro Varez1,C.S. Martínez-Cisneros1,B. Pandit1,B. Levenfeld1,J.Y. Sanchez1,2

University Carlos III of Madrid1,Univ. Grenoble Alpes, Univ. Savoie Mont Blanc, CNRS, Grenoble INP2

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8:00 PM - CH02.08.02
Exploration of Electride Design Rules Through Synthesis and Characterization of a Novel Layered Inorganic Electride

Rebecca Radomsky1,Lauren McRae1,Scott Warren1

University of North Carolina at Chapel Hill1

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8:00 PM - CH02.08.03
As-Synthesized Alkyne-Coated CdSe Quantum Dots for Site-Directed Nanoparticle-Substrate Chemical Linkage

Lucas Tortella1,J. Niezgoda1

Saint Joseph's University1

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8:00 PM - CH02.08.04
High-Performance Supercapacitors by the Infiltration of Gel Polymer Electrolytes into Porous Electrodes

Pado Kim1,Min Guk Gu1,Sung-Kon Kim1

Jeonbuk National University1

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8:00 PM - CH02.08.05
Insights to Electronic and Nanoscale Structure of Durable Multimetal Oxychloride Intergrowth Photocatalysts

Kaustav Chatterjee1,Roberto dos Reis2,Jared Stanley1,Vinayak Dravid2,Sara Skrabalak1

Indiana University1,Northwestern University2

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8:00 PM - CH02.08.06
High-Performance Microsupercapacitor Based on Laser-Induced Fluorinated Polyimide Films with Organic Gel Polymer Electrolytes

Min Guk Gu1,Pado Kim1,Minsu Kim2,Byoung Gak Kim2,Sung-Kon Kim1

Jeonbuk National University1,Korea Research Institute of Chemical Technology2

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8:00 PM - CH02.08.07
Partial Replacement of Cement by Waste Glass Powder for Concrete Production

Tessera Wubieneh1

Bahir Dar University1

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8:00 PM - CH02.08.08
Late News: Generation of Zinc Oxide Nanoparticles in Presence of Ethylene Glycol

Kerianys Torres1,Veronica Nash-Montes1,Josian Luciano Velazquez2,Sonia J. Bailón- Ruíz1

University of Puerto Rico at Ponce1,University of Puerto Rico at Mayagüez2

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8:00 PM - CH02.08.09
Late News: Antiferro- and Meta-Magnetism in the S=7/2 Hollandite Analog EuGa2Sb2

Tanya Berry1,Sean R. Parkin2,Tyrel McQueen1

Johns Hopkins University1,University of Kentucky2

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8:00 PM - CH02.08.10
Late News: Effect of the Capping Agent on the Photocatalytic Performance of ZnS Nanostructures

Veronica Nash-Montes1,Kevin Correa2,Kerianys Torres1,Josian Luciano Velazquez2,Sonia J. Bailón- Ruíz1

University of Puerto Rico in Ponce1,University of Puerto Rico at Mayagüez2

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8:00 PM - CH02.08.11
Late News: Theoretical and Experimental Properties of Ag2SeO4 and Ag2SeO3 for Photoluminescent and Photocatalytic Applications

Ivo Pinatti1,2,Ana Tello3,Marcio Teodoro3,Ieda Rosa3,Elson Longo3,Juan Andres2,Alexandre Simões1

UNESP1,UJI2,UFSCar3

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8:00 PM - CH02.08.12
Late News: Investigating Semiconductor Photocatalysts for C-C Bond Formation via First Principles Computations

Arun Kumar Mannodi Kanakkithodi1,Shukai Yao1,Jiaqi Yang1,Peilin Liao1

Purdue University1

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8:00 PM - CH02.08.13
Late News: Enhancement of Thermoelectric Properties in CuCrSnS4/Cu2SnS3 Nanocomposite by Exchange Interaction of Itinerant Carrier and Superparamagnetism of CuCrSnS4 Precipitation

Sujin Kim1,Junphil Hwang1,Tae Soo You2,Mi-kyug Han1,Minju Lee1,Sung-Jin Kim1

Ewha Womans University1,Chungbuk National University2

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8:00 PM - CH02.08.14
Gas Solubility in Water Confined within Microporous Materials

Malia Wenny1,Jarad Mason1

Harvard University1

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8:00 PM - CH02.08.15
Simple Technique to Generate Small Cerium Oxide Nanoparticles

Natalie Lopés Velasco1,Eduardo Chaparro2,Sonia J. Bailón- Ruíz1

University of Puerto Rico at Ponce1,University of Puerto Rico at Mayagüez2

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8:00 PM - CH02.08.16
Modeling Stabilization of Reactive Oxygen Species on Defect-Rich Ceria for Toxin Destruction

Nam Le1,Janna Domenico1,Travis Novak2,Jeffrey Long2,Paul DeSario2

Johns Hopkins University Applied Physics Laboratory1,U.S. Naval Research Laboratory2

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8:00 PM - CH02.08.17
The Coexistence or Absence of Magnetic Interactions and Superconductivity in Highly Doped YSr2Cu3O7-d Cuprates—The Fe and Mo Cases

Miguel Angel Alario-Franco1,Xabier Martinez de Irujo-Labalde2,Sara López-Paz1,Susana García Martín2

Universidad Complutense1,University of Oxford2

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8:00 PM - CH02.08.18
Late News: TiO2/Ag Nanoparticles Synthesized by Self-Combustion Used as Alternatives for Postharvest Fruit Ripening Control

Carlos Paucar1,Paula Nevado1,Claudia Garcia1

National University of Colombia1

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8:00 PM - CH02.08.19
Evaluation of Mechanical Properties and Microstructural Characterization of Spark Plasma Sintered B4C Ceramics with Addition of Dual-Phase FeNiCoCrMo High Entropy Alloy

Burak Ocak1,Gultekin Goller1

Istanbul Technical University1

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8:00 PM - CH02.05.07
Mechanistic Investigation on the Solid-State Transformation of One-Dimensional Sb2Se3 Nanorods to SbSeI Nanorods

Eran Edri1,Subila Kurukkal Balakrishna1

Ben-Gurion University of the Negev1

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2021-12-02   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.09: Chalcogenides
Session Chairs
Brent Melot
Thursday AM, December 2, 2021
Hynes, Level 3, Room 302

10:30 AM - *CH02.09.01
Chemistry of Chiral and Polar Transition Metal Silicon-Phosphides

Kirill Kovnir1,2

Iowa State University1,US DOE Ames Laboratory2

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11:00 AM - CH02.09.02
Thermoelectric Transport and Crystal Morphology of the Quasi-1D Zintl Ca5M2Sb6

Alexandra Zevalkink1

Michigan State University1

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11:15 AM - CH02.09.03
High-Pressure Structure and Bonding of AMg2Pn2 Thermoelectrics (A=Ca, Mg, Yb; Pn=Bi, Sb)

Mario Calderon Cueva1,Allison Pease1,Wanyue Peng1,Jingxuan Ding2,Tyson Lanigan-Atkins2,Olivier Delaire2,Susannah Dorfman1,Alexandra Zevalkink1

Michigan State University1,Duke University2

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11:30 AM - CH02.09.04
Measurements of Thermal Conductivity of Materials at High Pressures and High Temperatures Using Flash Laser Heating Method with Pockels Cell

Irina Chuvashova1,2,Zachary Geballe1,Sergey Lobanov3,Lukas Schifferle3,Alexander Goncharov1

Carnegie Science1,Florida International University2,Helmholtz Centre Potsdam3

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11:45 AM - CH02.09.06
Exploring Ultralow Thermal Conductive Heteroanionic Materials Hydrothermal Synthesis

Chi Zhang1,Jiangang He1,Rebecca McClain1,Hongyao Xie1,Songting Cai1,Lauren Walters1,Jiahong Shen1,James Rondinelli1,Mercouri Kanatzidis1,Christopher Wolverton1,Vinayak Dravid1,Kenneth Poeppelmeier1

Northwestern University1

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CH02.10: Light Absorbers
Session Chairs
Craig Brown
Kirill Kovnir
Thursday PM, December 2, 2021
Hynes, Level 3, Room 302

1:30 PM - CH02.10.01
Tetranuclear Copper(I) Clusters as Highly Efficient Blue Phosphors—Tunable Emissions via Remote Steric Effects

Yuichiro Watanabe1,Benjamin Washer1,Matthias Zeller1,Sergei Savikhin1,Lyudmila Slipchenko1,Alexander Wei1

Purdue University1

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1:45 PM - CH02.10.02
Systematic Bandgap Tuning of 2D Silver Phenylselenide Derivatives Through Organic Modification

Tomoaki Sakurada1,Watcharaphol Paritmongkol1,Woo Seok Lee1,William Tisdale1

Massachusetts Institute of Technology1

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2:00 PM - CH02.10.03
Interaction Between 1D Defects and Dopants in La-Doped BaSnO3 and Its Impact on Material Properties

Hwanhui Yun1,Andre Mkhoyan1

University of Minnesota1

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2:15 PM - CH02.10.04
Hidden Spontaneous Polarisation in the Chalcohalide Photovoltaic Absorber Sn2SbS2I3

Seán Kavanagh1,Christopher Savory2,Aron Walsh3,David Scanlon2

University College London & Imperial College London1,University College London2,Imperial College London3

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2:30 PM - CH02.10.05
Organohalide Precursors for the Continuous Production of Photocatalytic Bismuth Oxyhalide Nanoplates

Matthew Gordon1,Kaustav Chatterjee1,Alison Lambright1,Sandra Atehortua Bueno1,Sara Skrabalak1

Indiana University1

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Available on-demand   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.18: On-Demand
Session Chairs
Available on-demand
On-Demand

Available on-demand - CH02.18.01
An Insight into the Phase Dependent Photocatalytic Activity of Bulk and Exfoliated Defect-Controlled 2D Flakes of Copper Sulfide System Under Simulated Solar Light

Madina Telkhozhayeva1,Rajashree Konar1,Eti Teblum1,Gilbert Nessim1

Bar-Ilan University1

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Available on-demand - CH02.01.09
Novel Metal–Organic Glasses and Liquids from Metal–Bis(acetamide) Frameworks with Low Melting Temperatures

Mandy Liu1,Ryan McGillicuddy1,Hung Vuong2,Songsheng Tao2,Adam Slavney1,Miguel Gonzalez1,Simon Billinge2,Jarad Mason1

Harvard University1,Columbia University2

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2021-12-06   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.11: Physical Properties of Inorganic Solids I
Session Chairs
Craig Brown
Brent Melot
Monday AM, December 6, 2021
CH02-Virtual

8:00 AM - *CH02.11.01
Chiral Organic Semiconductors—Predicting Molecules and Motifs

Kim Jelfs1

Imperial College London1

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8:30 AM - CH02.11.07
Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7-xSbV2Cl54 (0 ≤ x ≤ 7)

Kyle McCall1,2,Bogdan Benin1,2,Michael Woerle1,Dominique Borgeaud dit Advocat1,Thomas Vonderach1,Kostiantyn Sakhatskyi1,2,Sergii Yakunin1,2,Detlef Guenther1,2,Maksym Kovalenko1,2

ETH Zurich1,Empa–Swiss Federal Laboratories for Materials Science and Technology2

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8:35 AM - CH02.11.02
Reversible Phase Transformations in Novel Dual-Phase Ce-Substituted Perovskite Oxide Composites for Solar Thermochemical CO2 Redox Splitting

J. Madhusudhan Naik1,Clemens Ritter2,Brendan Bulfin3,Aldo Steinfeld3,Rolf Erni4,Greta R. Patzke1

University of Zurich1,Institut Laue-Langevin2,ETH Zurich3,Empa–Swiss Federal Laboratories for Materials Science and Technology4

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8:40 AM - CH02.11.03
Local Order—A New Control Parameter for Optimizing Material Properties

Arkadiy Simonov1,Yevheniia Kholina1

ETH Zurich1

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8:45 AM - CH02.11.04
New Transrotational (Bent-Lattice) Microcrystals and Nanostructures Discovered by TEM in Crystallizing Amorphous Films

Vladimir Kolosov1

Ural Federal University1

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8:50 AM - CH02.11.05
Rare Earth Doped Nanoscale Upconverting Fluorides Na1.5Yb1..5F6 and SrF2 and Their Application for Dosimetry and Thermal Supervision

Michael Arnold1,Julia Katzmann1,Christiane Schuster1,Thomas Härtling1

Fraunhofer IKTS1

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8:55 AM - CH02.11.06
Doping by Design—Enhanced Thermoelectric Performance of GeSe-Based Alloys Through Metavalent Bonding

Yuan Yu1,Carl-Friedrich Schön1,Oana Cojocaru-Mirédin1,Matthias Wuttig1

RWTH Aachen University1

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9:00 AM - *CH02.11.08
Towards Reversible High-Voltage Multi-Electron Reactions in Alkali-Ion Batteries Using Vanadium Phosphate Positive Electrode Materials

Laurence Croguennec1,Edouard Boivin2,1,Long H.B. Nguyen1,2,Jacob Olchowka1,Dany Carlier1,Jean-Noel Chotard2,Christian Masquelier2

ICMCB, CNRS, Bordeaux Univ., Bordeaux INP1,LRCS, Picardie Jules Verne Univ.2

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9:30 AM - CH02.11.09
Understanding the Short-Range Order Preference in the Antiperovskite Cathode Material Li2FeSO

Samuel Coles1,2,Kit McColl1,2,Alexander Squires1,2,Conn O'Rourke1,2,Saiful Islam1,2,Benjamin Morgan1,2

University of Bath1,Faraday Institution2

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9:45 AM - CH02.11.10
Tunable Phase Transitions in a Two-Dimensional Superionic Conductor

Alex Rettie1

University College London1

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CH02.12: Physical Properties of Inorganic Solids II
Session Chairs
Amparo Fuertes
Hiroshi Kageyama
Monday PM, December 6, 2021
CH02-Virtual

1:00 PM - *CH02.12.01
Complex Halide Perovskites

Hemamala Karunadasa1,4,Kurt Lindquist1,Bridget Connor1,Michael Boles1,Stephanie Mack2,3,Jeffrey Neaton2,3

Stanford University1,UC Berkeley2,LBNL3,SLAC National Accelerator Laboratory4

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1:30 PM - CH02.12.02
Atomistic Investigation of Uranium Oxycarbide (UCO) Phase Stability, Point Defects and Fission Products Properties

Ibrahim Cheik Njifon1,Edmanuel Torres1

Canadian Nuclear Laboratories1

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1:35 PM - CH02.12.03
Development of Noble Metal Free Bi-Functional Electrocatalysts for Hydrogen Evolution Reaction on Porous Carbon Support and Performance Study

Sanju Gupta1

University of Central Florida1

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1:40 PM - CH02.12.04
Multimodal Structure Solution with 19F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides

Fenghua Ding1,Kent Griffith1,Kenneth Poeppelmeier1

Northwestern University1

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1:45 PM - CH02.12.05
New Atomistic Framework for Identifying, Optimizing and Extrapolating Structure-Property Relationships in Inorganic Solids

Olivier Gagné1,Frank Hawthorne2

Carnegie Institution for Science1,University of Manitoba2

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1:50 PM - CH02.12.06
Photocatalytic Degradation of Lignin Using Gold Nanorod Immobilized TiO2 Photoanode Under Mild Conditions

Hai Nguyen1,Shuya Li1,Saerona Kim1,Gyu Leem1,Benjamin Sherman2,Chang Yoo1,Jingshun Zhuang3

SUNY College of Environmental Science and Forestry1,Texas Christian University2,The Michael M. Szwarc Polymer Research Institute3

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1:55 PM - CH02.12.07
Luminescent Pyrochlore Metal Oxide Nanoparticles

Yuanbing Mao1

Illinois Institute of Technology1

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2:00 PM - CH02.12.08
Phase Analysis of Titanium Oxide Nanoparticles by the Application of Attenuated Crystal Models on X-Ray Pair Distribution Functions

Songsheng Tao1,Jonas Billet2,Jonathan De Roo3,Simon Billinge1,4

Columbia University1,University of Ghent2,University of Basel3,Brookhaven National Laboratory4

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2:05 PM - CH02.12.09
Strength and Toughness Variation in Transition Metal Carbides Due to Electronic Structure and Hybridization

Jenny Ziegler1,Katelyn Young1,Zubaer Hossain1

University of Delaware1

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2:10 PM - *CH02.12.10
Reversible Sulfide Oxidation in Alkali-Rich Li-Ion Battery Cathodes

Kimberly See1

California Institute of Technology1

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2:40 PM - CH02.12.11
Electronic Phase Segregation in the Hexagonal Perovskite Ba3SrMo2O9

Struan Simpson1,Abbie Mclaughlin1

University of Aberdeen1

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2:55 PM - CH02.12.12
Unravelling the Effect of Superficial Rh Depletion on Shallow d-States of Gallium-Rhodium Liquid Metal Alloys

Tzung-En Hsieh1,Haiko Wittkämper2,Johannes Frisch1,3,Mihaela Gorgoi1,3,Regan Wilks1,3,Christian Papp2,Marcus Baer1,2,4

Helmholtz-Zentrum Berlin für Materialien und Energie GmbH (HZB)1,Friedrich-Alexander Universität Erlangen-Nürnberg (FAU)2,Helmholtz-Zentrum Berlin für Materialien und Energie GmbH3,Helmholtz Institute for Renewable Energy (HI ERN)4

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CH02.13: Physical Properties of Inorganic Solids III
Session Chairs
Hiroshi Kageyama
Brent Melot
Monday PM, December 6, 2021
CH02-Virtual

9:00 PM - *CH02.13.01
Cyanide-Anion Based Dynamic Solid-State Materials

Ryo Ohtani1

Kyushu university1

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9:30 PM - *CH02.13.02
New Mixed-Anion Semiconductor Photocatalysts for Visible-Light-Induced Water Splitting

Ryu Abe1

Kyoto University1

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10:00 PM - CH02.13.03
Crystal Structure and Electronic Properties of Cation-Ordered Non-Cubic Pentavalent Fullerides

Keisuke Matsui1,Kosmas Prassides1

Osaka Prefecture University1

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10:05 PM - CH02.13.04
First-Principles Analysis on Electronic Structure of 10H Long-Period Stacking Ordered Phases in Mg-Zn-Y Alloys

Riku Sato1,Shinya Ogane1,Kazumasa Tsutsui2,Yuta Tanaka2,Koji Moriguchi1,2

Tohoku University1,Nippon Steel Corporation2

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10:10 PM - CH02.13.05
Development of an EAM Type Potential with a Long-Range Cutoff Radius for Describing Metallic Polytype Energetics

Shinya Ogane1,Riku Sato1,Yuta Tanaka2,Kazumasa Tsutsui2,Koji Moriguchi1

Tohoku University1,Nippon Steel Corporation2

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10:15 PM - CH02.13.06
Atomic-Scale Observation of Electrostatic Origin Octahedral Distortion in Ruddlesden-Popper Phases

Youngjae Hong1,Sung-Yoon Chung1

Korea Advanced Institute of Science and Technology1

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10:20 PM - CH02.13.07
Late News: Gap-State Engineering for Enhanced Ferroelectric Photovoltaic Effect Under Visible Light Irradiation

Hiroki Matsuo1,Yuji Noguchi1

Kumamoto University1

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10:25 PM - CH02.13.08
Atomic-Scale Direct Observation of Pre-Melting of RP Faults in Perovskite Oxide System

Ji-Sang An1,Sung-Yoon Chung1

Korea Advanced Institute of Science and Technology1

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10:30 PM - *CH02.13.09
Discovery of Two-Dimensional van der Waals Materials and Topological Dirac Semimetal in the Class of ABC Zintl Phases

Sung Wng Kim1

Sungkyunkwan university1

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2021-12-07   Show All Abstracts

Symposium Organizers

Brent Melot, University of Southern California
Craig Brown, National Institute of Standards and Technology
Amparo Fuertes, ICMAB-CSIC
Hiroshi Kageyama, Kyoto University

Symposium Support

Bronze
Chemistry of Materials | ACS Publications
Hiden Analytical, Inc
Inorganic Chemistry | ACS Publications
Journal of Solid State Chemistry | Elsevier
Quantum Design, Inc.
CH02.14: Physical Properties of Inorganic Solids IV
Session Chairs
Amparo Fuertes
Hiroshi Kageyama
Tuesday AM, December 7, 2021
CH02-Virtual

8:00 AM - *CH02.14.01
Design and Topochemical Synthesis of Metastable (oxy-)Chalcogenide Materials

Laurent Cario1,Shunsuke Sasaki1,Louis Béni Mvélé1,Catherine Guillot-Deudon1,Maria Teresa Caldes1,Isabelle Braems1,Benoit Corraze1,Etienne Janod1,Stephane Jobic1

CNRS, Université de Nantes1

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8:30 AM - *CH02.14.02
Divalent Magnetic Cations to Generate Magnetoelectric Properties in Corundum-Derived Structures

Antoine Maignan1,2,Christine Martin1,2,Françoise Damay1,3

CNRS1,crismat2,CEA3

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9:00 AM - CH02.14.03
Spectroscopic and First Principles Characterization of Electronic, Optical and Defect Properties of P-Type CuBi2O4

Sebastian Reyes-Lillo1,Zemin Zhang2,Jason Cooper3

Universidad Andres Bello1,Lanzhou University2,Lawrence Berkeley National Laboratory3

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9:05 AM - CH02.14.04
Impact of Surface Area on Capacity Retention in the LiNi0.5Mn0.5-xCoxO2 (x = 0.1 - 0.3) Series—Tradeoffs from the Ni2+/Ni3+ Ratio

Rajalakshmi Senthil Arumugam1,Ramesh Shunmugasundaram1,Vanessa Wood1

ETH Zürich1

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9:10 AM - CH02.14.05
Functional Materials by Design—Developing Treasure Maps with Quantum Chemistry

Matthias Wuttig1,Carl-Friedrich Schön1,Jean-Yves Raty2

RWTH Aachen University1,Universite de Liege2

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9:15 AM - CH02.14.06
Structure/Function Relationship in Luminescent Pure and Ti-Doped HfO2 Nanocrystals

Alessandro Lauria1

ETH Zürich1

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9:20 AM - CH02.14.07
Growth of Branched Nanowires via Solution Based Au Particle Deposition for Charge Carrier Diffusion Induced Nanowire Light Emitting Diodes

Kristi Adham1,Lukas Hrachowina1,David Alcer1,Magnus Borgström1

Lund University1

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9:25 AM - *CH02.14.08
Microwave-Assisted Routes for Rapid and Efficient Topochemical Modification of Layered Perovskites

John Wiley1

The University of New Orleans1

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CH02.15: Physical Properties of Inorganic Solids V
Session Chairs
Amparo Fuertes
Hiroshi Kageyama
Tuesday PM, December 7, 2021
CH02-Virtual

1:00 PM - *CH02.15.01
The Role of Dimensionality on the Spin and Charge Transport Properties of Metal Halide Semiconductors

Luisa Whittaker-Brooks1

University of Utah1

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1:30 PM - *CH02.15.02
Novel Nitrogen-Based Solids by Means of Synthetic and Theoretical Approaches

Richard Dronskowski1,2,Xianji Qiao1,Dongbao Luo2,1,Laura Henrich1,Arno Görne3,Tanja Scholz4

RWTH Aachen University1,Hoffmann Institute of Advanced Materials2,Fraunhofer Institute for Ceramic Technologies and Systems3,Max Planck Institute for Solid State Research4

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2:00 PM - CH02.15.03
Tailoring the Structure and Morphology of Mesoporous High Entropy MCo2O4 Spinel Oxide Nanoparticles

Xin Wang1,Palani Raja Jothi1,Katharine Page1,2

The University of Tennessee, Knoxville1,Oak Ridge National Laboratory2

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2:05 PM - CH02.15.04
Bulk Synthesis of Ternary Metal Nitrides Through Low-Temperature Ion Exchange Reactions

Paul Todd1

National Renewable Energy Lab1

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2:10 PM - CH02.15.05
Thermodynamic Investigation of LiFePO4 in Triphylite, Heterosite and Solid Solution Phases

Hillary Smith1,Alexandra Specht1,Aleah Wilson1

Swarthmore College1

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2:25 PM - CH02.15.06
Nanofluids' Evaluation for Enhanced Recovery in the Oil Industry

Ana Paulina Gomora Figueroa1

Universidad Nacional Autónoma de México1

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2:30 PM - CH02.15.07
Late News: Growth and Structure of the Topological Semimetal Candidate SmMnBi2

Tiglet Besara1,Sudha Krishnan1

Missouri State University1

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2:35 PM - CH02.15.09
Structure-Property Relationships in Na-Si Clathrates—Old and New Questions from a (Deceptively) Simple Binary Phase

Matt Beekman1,Antti Karttunen2,Winnie Wong-Ng3,James Kaduk4,5,Ethan Cruse1,Christian Posadas1,George Nolas6

California Polytechnic State University1,Aalto University2,National Institute of Standards and Technology (NIST)3,Illinois Institute of Technology4,North Central College5,University of South Florida6

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2:40 PM - *CH02.14.09
Oxychalcogenide Building Blocks Toward Nonlinear Optical Properties

Houria Kabbour1,Batoul Almoussawi1,Hiroshi Kageyama2,Mike Whangbo3,4,Shuiquan Deng4

Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 – UCCS – Unité de Catalyse et Chimie du Solide1,Kyoto University2,North Carolina State University3,Chinese Academy of Sciences4

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CH02.16: Physical Properties of Inorganic Solids VI
Session Chairs
Hiroshi Kageyama
Brent Melot
Tuesday PM, December 7, 2021
CH02-Virtual

4:00 PM - *CH02.16.01
Towards Solid–State Electroytes—Complex Halides and Hydrides as New Fast Li-Ion Conductors

Duncan Gregory1

Univ of Glasgow1

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4:30 PM - CH02.16.02
Group VI Metalates as Thermosensitive Phosphors

Federico Rabuffetti1

Wayne State University1

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4:45 PM - CH02.16.03
A General Method for Reconstructing the Orientation Ordering of Materials Constituents from Their Scattering Anisotropy

Guan-Rong Huang1,Jan-Michael Carrillo1,Yangyang Wang1,Changwoo Do1,Yuya Shinohara1,Takeshi Egami1,2,Lionel Porcar3,Yun Liu4,Bobby Sumpter1,Wei-Ren Chen1

Oak Ridge National Laboratory1,The University of Tennessee, Knoxville2,Institut Laue-Langevin3,National Institute of Standards and Technology4

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5:00 PM - CH02.06.05
Chloride-Sulfate Exchange Mechanisms and Structural Consequences in (LiCl)Al2(OH)6 Type Layered Double Hydroxides

Marc Chavalle1,2,3,Romain Botella1,Domitille Giaume1,Philippe Barboux1,Denis Beltrami3,Fabien Burdet3

Chimie Paristech1,CNRS2,ERAMET Ideas3

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5:15 PM - CH02.04.03
Multipolar Hidden Orders in 5d1 Double Perovskites

Aria Mansouri Tehrani1,Nicola Spaldin1

ETH Zurich1

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CH02.17: Physical Properties of Inorganic Solids VII
Session Chairs
Tuesday PM, December 7, 2021
CH02-Virtual

9:00 PM - *CH02.17.02
Porous Ionic Crystals Based on Polyoxometalates as a Tunable Platform for Functional Materials

Sayaka Uchida1

The University of Tokyo1

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9:30 PM - CH02.17.03
Tri-Phase Photocatalysis for CO2 Reduction and N2 Fixation with Efficient Electron Transfer on a Hydrophilic Surface of Transition-Metal-Doped MIL-88A (Fe)

Niwesh Ojha1

IIT Patna1

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9:35 PM - CH02.17.04
Analysis of Chemical and Electronic States Related to Hydration Reactivity of Lime Phase Coexisting with Other Oxides to Utilize Steelmaking Slag

Hiromi Eba1,Ryosuke Serigano1,Kousuke Yonemoto1,Yuuki Suzuki1

Tokyo City University1

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9:40 PM - CH02.17.05
Tuning of Mixed Valency in Rare-Earth Fullerides at Ambient and Elevated Pressures

Naoya Yoshikane1,Keisuke Matsui1,Hitoshi Yamaoka2,John Arvanitidis3,Kosmas Prassides1

Osaka Prefecture University1,RIKEN2,Aristotle University of Thessaloniki3

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9:45 PM - *CH02.17.06
High Pressure Synthesis of Novel Perovskite-Related Cuprates

Shintaro Ishiwata1

Osaka University1

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10:15 PM - CH02.17.07
Why Lattices and High Valence States are Stabilized in Perovskite-Type Oxides by Madelung Lattice Site Potentials

Masahiro Yoshimura1,2,Kripasindhu Sardar1

National Cheng Kung University1,Tokyo Institute of Technology2

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