2019 MRS Fall Meeting & Exhibit

Symposium EN07 : Materials Science for Efficient Water Splitting

2019-12-02   Show All Abstracts

Symposium Organizers

Maytal Caspary Toroker, Technion-Israel Institute of Technology
Francesc Illas, University of Barcelona
Michele Pavone, University of Napoli Federico II
Guofeng Wang, University of Pittsburgh
EN07.01: Nanocatalysts for Water Splitting
Session Chairs
Maytal Caspary Toroker
Michel Dupuis
Monday AM, December 02, 2019
Sheraton, 2nd Floor, Liberty BC

8:30 AM - EN07.01.01
HydroGEN—A Consortium Working on Efficient and Advance Water Splitting Materials (AWSM)

Huyen Dinh1,Katie Randolph2,Adam Weber3,Tadashi Ogitsu4,Anthony McDaniel5,Richard Boardman6,Elise Fox7,James Vickers2,David Peterson2,Eric Miller2,Ned Stetson2

National Renewable Energy Laboratory1,Department of Energy2,Lawrence Berkeley National Laboratory3,Lawrence Livermore National Laboratory4,Sandia National Laboratories5,Idaho National Laboratory6,Savanah River National Laboratory7

Show Abstract

9:00 AM - EN07.01.02
Monolayer MoS2 with Better Hydrogen Evolution Catalysis Than Pt

Guoqing Li1

North Carolina State University1

Show Abstract

9:15 AM - EN07.01.03
Highly Efficient Overall Water Splitting in Acid with Metal Nanosheets

Dongshuang Wu1,Kohei Kusada1,Hiroshi Kitagawa1

Kyoto University1

Show Abstract

9:30 AM - EN07.01.04
Importance of Interfacial Band Structure between the Substrate and Mn3O4 Nanocatalysts During Electrochemical Water Oxidation

Moo Young Lee1,Heonjin Ha1,Ki Tae Nam1

Seoul National University1

Show Abstract

9:45 AM -

10:15 AM - EN07.01.05
Quantum-Mechanical Embedding Methods for Surface Catalysis

Florian Libisch1

Technische Universität Wien1

Show Abstract

10:45 AM - EN07.01.06
Stacks of Highly-Ordered Nanowire Arrays Achieve Ultra-High Mass Activity for Oxygen Evolution Reaction and Efficient Transportation of Evolved Oxygen

Ye Ji Kim1,Yeon Sik Jung1


Show Abstract

11:00 AM - EN07.01.07
Zipping Up Ni-Fe Hydroxide-Coated Hematite Nanowires—A Citrate-Chelating Strategy Promotes Photoelectrochemical Water Splitting

Tianyu Liu1,Mingyang Li2,Yexiang Tong2,Yat Li1

University of California, Santa Cruz1,Sun Yat-sen University2

Show Abstract

11:15 AM - EN07.01.08
Solution-Based Growth of ZnO@ZIF-8 Core-Shell Nanowires-MOF for Efficient Photoelectrochemical Water Splitting

Alejandro Galan1,Andrew Gallant1,Del Atkinson1,Dagou Zeze1

Durham University1

Show Abstract

11:30 AM - EN07.01.09
Coupling Interface Constructions of 2D Nanosheet Arrays/FeNi Heterostructures for Efficient Electrochemical Water Splitting

Qian Xiang1,Yi Wu1,Wenlong Chen1,Fan Li1,Tao Deng1,Jianbo Wu1

Shanghai Jiao Tong University1

Show Abstract

EN07.02: Photo- and Electro-Catalysis I
Session Chairs
Ana Munoz-Garcia
Monday PM, December 02, 2019
Sheraton, 2nd Floor, Liberty BC

1:30 PM - EN07.02.01
Identifying the Limiting Processes at Electrochemical Interfaces—From Experimental Data to Multiscale Modeling

Anja Bieberle-Hütter1,Kiran George1,Matthijs van Berkel1,Xueqing Zhang1,Vivek Sinha1,Rochan Sinha1,Yihui Zhao1,Aafke Bronneberg1


Show Abstract

2:00 PM - EN07.02.02
The Role of Overlayers on Water Splitting Catalysis

Maytal Caspary Toroker1

Technion-Israel Institute of Technology1

Show Abstract

2:15 PM - EN07.02.03
Anodic Instability of the SrIrO3 Water Splitting Catalyst—In Situ Microscopy and Electrolyte Variation Studies

Andrew Akbashev1,2,William C. Chueh1,2

Stanford University1,SLAC National Accelerator Laboratory2

Show Abstract

2:30 PM - EN07.02.04
Structure Predictions in Wet Environments for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces

Giuseppe Fisicaro1,Simona Filice1,Silvia Scalese1,Giuseppe Compagnini2,Riccardo Reitano3,Ioannis Deretzis1,Luigi Genovese4,Stefan Goedecker5,Antonino La Magna1

CNR Institute for Microelectronics and Microsystems1,Dipartimento di Scienze Chimiche, Università di Catania2,Dipartimento di Fisica e Astronomia, Università di Catania3,Laboratoire de simulation atomistique (L_Sim)4,Department of Physics, University of Basel5

Show Abstract

2:45 PM - EN07.02.05
Formation of Polarons—Their Electronic Structures and Effects in Metal-Oxide-Photoelectrocatalysts: α-Fe2O3 and BiVO4

Muhammad Huda1,Hori Pada Sarker1,Wolfram Jaegermann2

The University of Texas at Arlington1,TU Darmstadt2

Show Abstract

3:00 PM -

3:30 PM - EN07.02.06
Recent Method and Application Advances in Multiscale Characterization of Carrier Transport in Materials for Water Splitting, Such as Cation- and Anion-Doped Bismuth Vanadate

Michel Dupuis1,Viswanath Pasumarthi1,Pavan Kumar Behara1,Taifeng Liu2,3,Can Li3

University at Buffalo, The State University of New York1,Henan University2,Dalian Institute of Chemical Physics3

Show Abstract

4:00 PM - EN07.02.07
Relationship between the Photocatalytic Hydrogen Ion Reduction and Charge Carrier Dynamics of Pt/Cd1-xNixS catalysts

Tayirjan Isimjan1,Partha Maity2,Omar Mohammed2,Hicham Idriss3

SABIC-CRD at KAUST1,KAUST2,SABIC-CRD-KAUST/University College London3

Show Abstract

4:15 PM - EN07.02.08
Highly Efficient Membrane Electrode Assembly with Less than 10 nm NiFe-Layered Double Hydroxides for Anion Exchange Membrane Water Electrolysis

Hiroyuki Koshikawa1,Hideaki Murase1,Takao Hayashi1,Kosuke Nakajima1,Hisanori Mashiko1,Seigo Shiraishi1,Yoichiro Tsuji1

Panasonic Corporation1

Show Abstract

4:30 PM - EN07.02.09
Semiconductor Photocathodes Modified with Transparent Reduced Graphene Oxide Films Loaded with Molecular Sensitizers and Electrocatalysts for Hydrogen Evolution

Molly MacInnes1,Nicolai Lehnert1,Stephen Maldonado1

University of Michigan1

Show Abstract

4:45 PM - EN07.02.10
Highly Flexible and Efficient Photoanodes Using Surface Functionalized Metal-Oxide Nanostructures for PEC Applications

Koteeswara Reddy Nandanapalli1,Devika Mudusu1,Jinkyu Song1,Kyung-In Jang1,Sungwon Lee1

Daegu Gyeongbuk Institute of Science & Technology (DGIST)1

Show Abstract

2019-12-03   Show All Abstracts

Symposium Organizers

Maytal Caspary Toroker, Technion-Israel Institute of Technology
Francesc Illas, University of Barcelona
Michele Pavone, University of Napoli Federico II
Guofeng Wang, University of Pittsburgh
EN07.03: Photo- and Electro-Catalysts II
Session Chairs
Florian Libisch
Michele Pavone
Tuesday AM, December 03, 2019
Sheraton, 2nd Floor, Liberty BC

8:30 AM - EN07.03.01
Integrating Supramolecular Photocatalysts into Photoelectrocatalytic Devices

Elizabeth Gibson1

Newcastle Univ1

Show Abstract

9:00 AM - EN07.03.02
Artificial Photosynthesis Using Perovskite Materials: A SrSnO3 Case Study

Conor Price1,Ned Taylor1,Francis Davies1,Shane Davies1,Steven Hepplestone1

University of Exeter1

Show Abstract

9:15 AM - EN07.03.03
Understanding the Complex of 3d Transition Metal Dopants and Sulfur Vacancies in the Activation of MoS2 Basal Plane for HER—From Structures to Intrinsic Descriptors

Mingjie Liu1,Qin Wu1

Brookhaven National Laboratory1

Show Abstract

9:30 AM - EN07.03.04
Fundamental Energetics of n-Si/SiOx/p-NiO Photoanode for Water Oxidation and Sulfur Doping Effect on PEC Performance

Jemee Joe1,Thi Anh Ho1,Changdeuck Bae1,Hyunjung Shin1

Sungkyunkwan University1

Show Abstract

9:45 AM - EN07.03.05
Concurrent Photocatalytic Hydrogen Generation and Dye Degradation Using MIL-125-NH2 under Visible Light Irradiation

Stavroula Kampouri1,Tú Nguyên1,Mariana Spodaryk1,2,Robert Palgrave3,Andreas Züttel1,2,Berend Smit1,Kyriakos Stylianou1

Ecole Polytechnique Federale de Lausanne1,EMPA Materials Science and Technology2,University College London3

Show Abstract

10:00 AM -

10:30 AM - EN07.03.06
Defective But Effective—The Role of Defects in Oxide-Based Electrocatalysis

Ana Munoz-Garcia1

Univ of Naples Federico II1

Show Abstract

11:00 AM - EN07.03.07
Design and High-Throughput Discovery of Conjugated Polymer Photocatalysts for Photocatalytic Hydrogen Evolution from Water

Reiner Sprick1,Yang Bai1,Christian Meier1,Liam Wilbraham2,Martijn Zwijnenburg2,Andrew Cooper1

University of Liverpool1,University College London2

Show Abstract

11:15 AM - EN07.03.08
Exciton Delocalization vs Charge Separation in Biomimetic PBI-Based Supramolecules for Artificial Photosynthesis

Margherita Maiuri1,Mattia Russo1,Luca Moretti1,Francesco Rigodanza2,Andrea Sartorel2,Maurizio Prato3,Marcella Bonchio2,Giulio Cerrulo1

Politecnico di Milano1,University of Padova and CNR-ITM2,University of Trieste3

Show Abstract

11:30 AM - EN07.03.09
Oxygen Evolution Reaction of Epitaxially Stabilized Columbite IrO2

Kyuho Lee1,Raul Flores1,2,Yunzhi Liu1,Michal Bajdich2,Yasuyuki Hikita2,Robert Sinclair1,Harold Hwang2,1

Stanford University1,SLAC National Accelerator Laboratory2

Show Abstract

11:45 AM - EN07.03.10
Effect of Dissolved O2 on Band Alignment at n-GaN/NaOH Interface

Yuki Imazeki1,Supawan Ngamprapawat1,Masahiro Sato1,Katsushi Fujii2,Tsutomu Minegishi1,Masakazu Sugiyama1,Yoshiaki Nakano1

The University of Tokyo1,RIKEN Center for Advanced Photonics2

Show Abstract

EN07.04: Collaborative Modelling and Experiments for Water Splitting
Session Chairs
Anja Bieberle-Hütter
Elizabeth Gibson
Tuesday PM, December 03, 2019
Sheraton, 2nd Floor, Liberty BC

1:30 PM - EN07.04.01
Oxygen Electro-Adsorption Kinetics on Well-Defined Oxide Surfaces

Jin Suntivich1,Ding-Yuan Kuo1,Hanjong Paik1,Darrell Schlom1

Cornell University1

Show Abstract

2:00 PM - EN07.04.02
BSE Calculations for Hematite Water Splitting

Nadav Snir1,Maytal Caspary Toroker1

Technion-Israel Institute of Technology1

Show Abstract

2:15 PM - EN07.04.03
Sn-Addition on Polycrystalline Hematite Reduces the Grain Boundary Blocking Effect Enhancing the Electronic Conductivity

Flavio De Souza2,Mario Soares1,Edson Leite1

UFSCar1,University Federal-ABC2

Show Abstract

2:30 PM - EN07.04.04
Optimization of Photoelectrochemical Performance of Hematite for Solar Water Splitting

Mmantsae Diale1

University of Pretoria1

Show Abstract

2:45 PM - EN07.04.05
Engineering 1T-MoS2 with Transition Metal Doping as Efficient Electrocatalysts for Alkaline Hydrogen Evolution Reaction

Nuwan Attanayake1,Lakshay Dheer2,Sasitha Abeyweera1,Umesh Waghmare2,Daniel Strongin1

Temple University1,Jawaharlal Nehru Centre for Advanced Scientific Research2

Show Abstract

3:00 PM -

3:30 PM - EN07.04.06
Multiscale Modelling Strategies for Alloy Design

Javier Llorca1,2

IMDEA Materials Institute1,Technical University of Madrid2

Show Abstract

4:00 PM - EN07.04.07
Carbon-Based Heterojunction with Optimizing Oxygen Concentration for Photoelectrochemical Water Splitting

Minyeong Je1,Yelyn Sim2,Uk Sim2,Heechae Choi1

University of Cologne1,Chonnam National University2

Show Abstract

4:15 PM - EN07.04.08
Zn:BiVO4/Mo:BiVO4 Homojunction as Efficient Photoanode for Photoelectrochemical Water Splitting

Jae Myeong Lee1,Ji Hyun Baek1,Xinjian Shi2,Gill Sang Han1,Dong Hoe Kim3,Hyun Suk Jung1,Xiaolin Zheng2

Sungkyunkwan University1,Stanford University2,Sejong University3

Show Abstract

4:30 PM - EN07.04.09
Investigation of Highly Stable Proton Exchange Membrane Water Electrolyzers with Low Catalyst Loading and Reduced Hydrogen Crossover

Ryan Ouimet1,Reza Mirshekari1,Haoran Yu1,Zhiqiao Zeng1,Leonard Bonville1,Prasanna Mani2,Allison Niedzwiecki2,Chris Capuano2,Katherine Ayers2,Radenka Maric1

University of Connecticut1,Nel Hydrogen2

Show Abstract

4:45 PM - EN07.04.10
From Rusting to Solar Power Plants—A Successful Nano-Patterning of Stainless Steel 316L for Visible Light-Induced Photoelectrocatalytic Water Splitting

Nageh Allam1

American University in Cairo1

Show Abstract

EN07.05: Poster Session
Session Chairs
Maytal Caspary Toroker
Francesc Illas
Michele Pavone
Guofeng Wang
Tuesday PM, December 03, 2019
Hynes, Level 1, Hall B

8:00 PM - EN07.05.01
Understanding the Reasons for the Absence of Photoactivity in β Manganese Vanadate (Mn2V2O7)

Yash Gargasya1

University of California, Irvine1

Show Abstract

8:00 PM - EN07.05.02
Developing Stable and Efficient Water Splitting Devices for Solar H2 Production under Concentrated Light

Mohd Khan1,Purushothaman Varadhan2,Hicham Idriss1,Jr-Hau He2

SABIC1,King Abdullah University of Science and Technology2

Show Abstract

8:00 PM - EN07.05.03
Activation of Reaction Sites in Multinary Phyllosilicate Catalysts for Electrochemical Water Oxidation

Byunghoon Kim1,Ju Seong Kim1,Kisuk Kang1

Seoul National University1

Show Abstract

8:00 PM - EN07.05.04
Quantification of Surface Reactivity and Step-Selective Etching on Single-Crystal BiOI(001)

Julia Martin1,Roy Stoflet1,Katarina Himmelberger1,Alexander Carl1,Ronald Grimm1

Worcester Polytechnic Institute1

Show Abstract

8:00 PM - EN07.05.05
Doped Diamond-Like Carbon Films for Electronic Applications

Philip Schneider1,Marie Francoise Millares1,Iulian Gherasoiu2,Harry Efstathiadis1

SUNY Polytechnic Institute College of Nanoscale Science and Engineering1,State University of New York Polytechnic Institute2

Show Abstract

8:00 PM - EN07.05.06
Sodium Flame Synthesis of Nano-Structured Powders for Catalytic Applications

Nick Yin1,Mary Krause1,Geoff Smith1,Larry Wang1,Grodon Smith1

Global Advanced Metals USA, Inc.1

Show Abstract

8:00 PM - EN07.05.07
Synthesis, Characterization and Application of MoO3 by Hydrothermal Route Assisted by Microwaves as an Adsorbent of Organic Dyes

Larissa Garcia1,Fenelon Pontes1,Rafaela Silva1,Regina Capeli1,Elson Longo2

UNESP São Paulo State University1,UFSCAR- Federal University of São Carlos2

Show Abstract

8:00 PM - EN07.05.08
The Importance of the Interfacial Contact—Is Reduced Graphene Oxide Always an Enhancer in Photo(Electro)Catalytic Water Oxidation?

Zhirun Xie1,Hui Ling Tan2,Yun Hau Ng3

University of New South Wales1,Kyushu University2,City University of Hong Kong3

Show Abstract

8:00 PM - EN07.05.09
The Remarkable Structure of Surface-Terminated Grain Boundary in Perovskite Oxides and Implications for Oxygen Electrocatalysis

Yoon Heo1,Hyung Bin Bae1,Seungkyu Choi1,Sung-Yoon Chung1


Show Abstract

8:00 PM - EN07.05.10
Tailoring the d-Band Center and Electronic Structure of Co-N4 Electrocatalyst for Hydrogen Evolution Reaction

Sabhapathy Palani1,2,3,Indrajit Shown1,Wei-Fu Chen2,Kuei-Hsien Chen1,2,Li-Chyong Chen2

Academia Sinica1,National Taiwan University2,National Tsing Hua University3

Show Abstract

8:00 PM - EN07.05.11
Ni(OH)2-WP Hybrid Nanorod Arrays for Superior Electrocatalyst toward Hydrogen Evolution Reaction in Alkaline Media

Dokyoung Kim1,Kijung Yong1

Pohang University of Science and Technology1

Show Abstract

8:00 PM - EN07.05.12
NiCoP Double Transition Metal Phosphide/Ti3C2 MXene 3D Architecture as Efficient Bifunctional Photocatalyst for Solar Water Splitting

Jiyeon Kang1,Seulgi Kim1,Sungho Song2,Dongju Lee1

Chungbuk National University1,Kongju National University2

Show Abstract

8:00 PM - EN07.05.13
Engineering Facet-Heterojunction Rutile TiO2 Photocatalyst for Highly Efficient Overall Water Splitting

Chaomin Gao1,Lina Zhang1,Shenguang Ge1,Xin Cheng1,Kang Cui1

University of Jinan1

Show Abstract

8:00 PM - EN07.05.14
Realizing Multiple Heterojunction within Single Titanium Dioxide Nanoparticles for Highly Efficient Solar Hydrogen Production

Yoonjun Cho1,Jong Hyeok Park1

Yonsei University1

Show Abstract

8:00 PM - EN07.05.15
Effect of the Potential Deposition on the Photoelectroactivity of the SnSx/Sb2S3 Thin Films

Moisés de Araújo1,Francisco Willian Lucas2,Lucia Helena Mascaro1

Universidade Federal de São Carlos1,Universidade de São Paulo2

Show Abstract

8:00 PM - EN07.05.16
The Effect of Electrochemical Pre-Treatment in Sulfide Solutions on the Performance of Iron-Based Oxygen Evolution Catalysts

Billal Zayat1,Debanjan Mitra1,Sri Narayanan1

University of Southern California1

Show Abstract

8:00 PM - EN07.05.17
Electron Transfer in the Solid State—Extension of the Corresponding Orbitals Transformation for Calculating Electron Transfer Parameter VAB to Periodic Systems

Pavan Kumar Behara1,Michel Dupuis1

University at Buffalo, The State University of New York1

Show Abstract

8:00 PM - EN07.05.18
Cobalt Molybdate-Based Electrocatalyst for Efficient Hydrogen Evolution in Alkaline Media

Siyu Zhao1

University College London1

Show Abstract

8:00 PM - EN07.05.19
Enhanced Photoelectrochemical Performance of Ternary Ag/PaNi/NaNbO3 Nanocomposite Photoanode for PEC Water Splitting

Dheeraj Kumar1,Neeraj Khare1

Indian Institute of Technology Delhi1

Show Abstract

8:00 PM - EN07.05.20
Exfoliated NiPS3 Nanosheets as an Oxygen Evolution Reaction Electrocatalyst

Raksha Dangol1,Zhengfei Dai1,2,Apoorva Chaturvedi1,Qingyu Yan1

Nanyang Technological University1,State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University2

Show Abstract

8:00 PM - EN07.05.21
In Situ Raman Spectro-Electrochemical Studies of Support-Catalyst Interface of Nanocarbon Florets Supported Co3O4 with an Energy Efficient Electrocatalysis under a Magnet

Jayeeta Saha1

Indian Institute of Technology Bombay1

Show Abstract

8:00 PM - EN07.05.22
Triggering Catalytic Active Sites for Hydrogen Evolution Reaction by Intrinsic Defects in Janus Monolayer MoSSe

Wenwu Shi1,Zhiguo Wang1

University of Electronic Science and Technology of China1

Show Abstract

8:00 PM - EN07.05.23
Microkinetic Modeling of Water Oxidation in Photoelectrochemical Cells—The Impact of Surface States on the Electrochemistry

Anja Bieberle-Hütter1,Kiran George1,Tigran Khachatrjan2,Matthijs van Berkel1,2,3

DIFFER1,Technische Universiteit Eindhoven2,Vrije Universiteit Brussel3

Show Abstract

8:00 PM - EN07.05.24
Bimetallic Phosphide Encapsulated on Carbon Matrix Derived from Metal-Phenolic Network as Stable and Efficient Electrocatalysts for Oxygen Evolution Reaction

Gwan Hyun Choi1,Clament Sagaya Selvam Neethinathan1,Piljin Yoo1

Sungkyunkwan University1

Show Abstract

8:00 PM - EN07.05.25
Visible/Near-Infrared Driven Photocatalyst Based on Upconversion Nanoparticles and Graphitic Carbon Nitride

Yong Il Park1

Chonnam National University1

Show Abstract

8:00 PM - EN07.05.26
Effect of Electronic and Structural Properties of Transparent Conductive Colloid Mediator on Z-Scheme Water Splitting over Printable Photocatalyst Sheets

Hiromasa Tokudome1,2,Sayuri Okunaka1,2,Shingo Oozu1,2,Takeshi Ikeda1,2,Kazunari Domen3,4

TOTO Ltd1,Japan Technological Research Association of Artificial Photosynthetic Chemical Process (ARPChem)2,The University of Tokyo3,Shinshu University4

Show Abstract

8:00 PM - EN07.05.27
Aerosol-Assisted Chemical Vapour Deposition of alpha-Fe2O3 Thin Films for Water-Splitting

Matthew Surman1,Andrew Johnson1,Michael Hill1,Salvador Eslava1

University of Bath1

Show Abstract

8:00 PM - EN07.05.28
Growth and Characterization of Tantalum Oxynitrate Thin Film for Solar Water Splitting

Ratnakar Palai1,Roberto Masso-Ferret1,Javier Wu1

University of Puerto Rico at Río Piedras1

Show Abstract

8:00 PM - EN07.05.29
Enhancement of Photocatalytic Oxygen Evolution Reaction of Nanoscale BiFeO3 Using IrO2 Nanoparticles

Wegdan Ramadan1,2,Detlef Bahnemann1,3

Leibniz Universität Hannover1,Alexandria University-Faculty of Science2,St Petersburg State University, Laboratory ‘‘Photoactive Nanocomposite Materials3

Show Abstract

8:00 PM - EN07.05.30
Effect of Hf Doping on ZnO Photo-Anode

Boulos Alfakes1,Corrado Garlisi1,Nitul Rajput1,ChunYu Lu1,Ibraheem Almansouri1,Giovanni Palmisano1,Matteo Chiesa1,2

Khalifa University of Science and Technology1,UiT The Arctic University of Norway2

Show Abstract

8:00 PM - EN07.05.32
A Band Diagram Based Device Modeling Approach for Designing Photoelectrochemcial Anodes

Botong Miao1,Asif Iqbal1,Kirk Bevan1

McGill University1

Show Abstract

8:00 PM - EN07.05.33
Fabrication Process Analysis of Non-Precious Metal Electrochemical Water Oxidation Catalysts of MOx (M = Mn, Fe, Co, Ni) by Raman Spectra

Katsushi Fujii1,Kayo Koike1,Kei Morishita1,Satoshi Wada1


Show Abstract

8:00 PM - EN07.05.34
Method for Determining Bond Energy in Nanostructured Water

Vitaly Bondarenko1,Svetlana Volchek1,Vladimir Petrovich1,Valentina Yakovtseva1,Sergey Redko1,Alexander Grigoriev1

Belarusian State University of Informatics and Radioelectronics1

Show Abstract

2019-12-04   Show All Abstracts

Symposium Organizers

Maytal Caspary Toroker, Technion-Israel Institute of Technology
Francesc Illas, University of Barcelona
Michele Pavone, University of Napoli Federico II
Guofeng Wang, University of Pittsburgh
EN07.06: Novel Water-Splitting Catalysts I
Session Chairs
Jin Suntivich
Guofeng Wang
Wednesday AM, December 04, 2019
Sheraton, 2nd Floor, Liberty BC

8:30 AM - EN07.06.01
Nanometal for Hydrogen Evolution

De-en Jiang1

University of California, Riverside1

Show Abstract

9:00 AM - EN07.06.02
Interfacial Engineered Colloidal “giant” Core/Shell Quantum Dots Sensitized Carbon Nanotubes-TiO2 Hybrid Photoanode for High-Efficiency Hydrogen Generation

Gurpreet Selopal1,2,Mahyar Mohammadnezhad2,Omar Abdelkarim2,Haiguang Zhao3,François Vidal2,Zhiming Wang1,Federico Rosei2,1

IFFS-UESTC1,INRS-EMT2,Qingdao University3

Show Abstract

9:15 AM - EN07.06.03
Molecular Insight into the Osmolality of Ionic Liquid with Lower Critical Solution Temperature Transition Behavior

Hyungmook Kang1,2,Akanksha Menon1,Robert Kostecki1,Chris Dames2,Jeffrey Urban1

Lawrence Berkeley National Laboratory1,University of California, Berkeley2

Show Abstract

9:30 AM - EN07.06.04
A Combined Spectroscopic and First-Principles Approach for the Atomistic-Level Description of Semiconductor/Electrolyte Interface

Masahiro Sato1,Yuki Imazeki1,Takahito Takeda1,Masaki Kobayashi1,Susumu Yamamoto1,Iwao Matsuda1,Jun Yoshinobu1,Yoshiaki Nakano1,Masakazu Sugiyama1

The University of Tokyo1

Show Abstract

9:45 AM - EN07.06.05
Earth-Abundant Metal-Metalloid Materials as Highly-Efficient Oxygen-Evolving Electrocatalyst

Jean Marie Vianney Nsanzimana1,Vikas Reddu1

Nanyang Technological University1

Show Abstract

10:00 AM -

10:30 AM - EN07.06.06
A Supramolecular Approach to Water Oxidation

Maurizio Prato1,2

University of Trieste1,CICbiomagune2

Show Abstract

11:00 AM - EN07.06.07
Hierarchical Sb2Se3 Light Absorber—Nanostructured Photocathode for Highly Efficient Solar to Hydrogen Conversion

Jaemin Park1,Wooseok Yang1,Jeiwan Tan1,Hyungsoo Lee1,Sang-gi Shim1,Jooho Moon1

Yonsei University1

Show Abstract

11:15 AM - EN07.06.08
Development of a Method to Characterize Active Sites in Photocatalysis Using Operando Transmission Electron Microscopy

Eric Stach1,Vincent Verret1,Pawan Kumar1,Noah Glachman1,Khim Karki2,Daan Hein Alsem2,Deep Jariwala1

University of Pennsylvania1,Hummingbird Scientific2

Show Abstract

11:30 AM - EN07.06.09
Hydrogenated TiO2-Silicon Tandem Cell Platelets for Direct Water Splitting

Helmut Karl1

University of Augsburg1

Show Abstract

11:45 AM - EN07.06.10
Combinatorial Thin-Film Deposition for High-Throughput Electrocatalyst Testing

Larry Scipioni2,Anthony Thompson1,Hector Colon-Mercado1,Elise Fox1,James Greer2,Adam Shepard2

Savannah River National Laboratory1,PVD Products2

Show Abstract

EN07.07: Computational Characterization and Design
Session Chairs
Javier Llorca
Sergei Tretiak
Wednesday PM, December 04, 2019
Sheraton, 2nd Floor, Liberty BC

1:30 PM - EN07.07.01
Electrocatalysis with Graphitic Carbon Catalysts

Troy Van Voorhis1

Massachusetts Institute of Technology1

Show Abstract

2:00 PM - EN07.07.02
First-Principles Predictions of Photoelectrode Materials—From Bulk to Complex Interfaces

Tuan Anh Pham1,Tyler Smart2,Yuan Ping2,Brandon Wood1,Tadashi Ogitsu1

Lawrence Livermore National Laboratory1,University of California, Santa Cruz2

Show Abstract

2:15 PM - EN07.07.03
Estimation of Electronic Entropy Contributions to Oxygen Vacancy Formation Reaction in Nonstoichiometric Oxides via Analysis of Electronic Structure Properties

Conrad Cole1

University of Florida1

Show Abstract

2:30 PM -

3:30 PM - EN07.07.04
Multiscale Modeling of Charge Carrier Dynamics in Complex Metal Oxides for Solar Water Splitting—The Case of Anion Doping in BiVO4

Viswanath Pasumarthi1,Pavan Kumar Behara1,Michel Dupuis1

University at Buffalo, The State University of New York1

Show Abstract

3:45 PM - EN07.07.05
Phenyl Oxidation at Oxygen Evolution Potentials—Impact on Alkaline Membrane Electrolyzer Durability

Dongguo Li1,Ivana Matanovic1,Albert S. Lee1,Hoon T. Chung1,Yu Seung Kim1

Los Alamos National Lab1

Show Abstract

2019-12-05   Show All Abstracts

Symposium Organizers

Maytal Caspary Toroker, Technion-Israel Institute of Technology
Francesc Illas, University of Barcelona
Michele Pavone, University of Napoli Federico II
Guofeng Wang, University of Pittsburgh
EN07.08: Fundamental Mechanisms for Water Splitting I
Session Chairs
De-en Jiang
Gideon Segev
Thursday AM, December 05, 2019
Sheraton, 2nd Floor, Liberty BC

8:30 AM - EN07.08.01
Linking Surface Properties to Electrochemical Activity of Water Splitting Catalysts

Yelena Gorlin1

Research and Technology Center, Robert Bosch LLC1

Show Abstract

9:00 AM - EN07.08.02
Unravelling the Structure—Properties Relationship of MOCVD Co3O4/TiO2 Heterojunctions for Solar Water Splitting

Constantin Vahlas1,Adeline Miquelot1,Olivier Debieu2,Stephanie Roualdes3,Christina Villeneuve4,Nathalie Prud'homme5,Jeremy Cure6,Vincent Rouessac7,George Papavieros8,Vassilios Constantoudis8

CIRIMAT1,INPT2,Université de Montpellier3,Université Paul Sabatier4,Université Paris-Sud5,LAAS6,CNRS7,NCSR Demokritos8

Show Abstract

9:15 AM - EN07.08.03
Unfolding the Effect of the O2 and N2 Plasma on Hydrogen Evolution Reaction of MoS2

Lalita Sharma1

Indian Institute of Technology1

Show Abstract

9:30 AM - EN07.08.04
Comparison of Light-Intensity-Dependent Open-Circuit Potential among TiO2, SrTiO3 and GaN Single-Crystalline Photoanodes

Supawan Ngamprapawat1,Yuki Imazeki1,Tsutomu Minegishi1,Masahiro Sato1,Katsushi Fujii2,Masakazu Sugiyama1

The University of Tokyo1,RIKEN Center for Advanced Photonics2

Show Abstract

9:45 AM - EN07.08.05
Fields Matter—Better Water Splitting Through Magnetic Field-Assisted Processing of Hematite Thin Films

Daniel Stadler1,Myeongwhun Pyeon1,Vanessa Rauch1,Mehmet Gursoy2,Meenal Deo1,Yakup Gönüllü1,Thomas Fischer1,Taejin Hwang3,Sanjay Mathur1

University of Cologne1,Selçuk Üniversitesi2,KITECH3

Show Abstract

10:00 AM -

10:30 AM - EN07.08.06
Adsorption Energetics and Surface Phase Transformations in Iridium and Ruthenium-Based Oxygen Evolution Reaction Catalysts

Geoffroy Hautier1

University Catholique de Louvain1

Show Abstract

11:00 AM - EN07.08.07
Surface and Sub-Surface Structure of Ba0.5Sr0.5Co0.8Fe0.2O3-δ Perovskite Particles for Oxygen Evolution Reaction Probed by Electron Microscopy Techniques

Tzu-Hsien Shen1,Liam Spillane2,Yang Shao-Horn3,Vasiliki Tileli1

École polytechnique fédérale de Lausanne1,Gatan Inc.2,Massachusetts Institute of Technology3

Show Abstract

11:15 AM - EN07.08.08
Programmable NiFe/Au Barcode Nanomesh for Enhanced Oxygen Evolution

Can Cui1,Liaoyong Wen1

University of Connecticut1

Show Abstract

11:30 AM - EN07.08.09
Design and Preparation of CNTs Aerogel/Wood Bilayer-Structures for Solar Steam and Sewage Treatment

Lei Miao1,Xiaojiang Mu1,Jianhua Zhou1

Guilin University of Electronic Technology1

Show Abstract

11:45 AM - EN07.08.10
Li and P Co-Doped Heptazine Based g-C3N4 Monolayer

Deepak Gorai1,Tarun Kumar Kundu1

Indian Institute of Technology Kharagpur1

Show Abstract

EN07.09: Fundamental Mechanisms for Water Splitting II
Session Chairs
Troy Van Voorhis
Hua Zhou
Thursday PM, December 05, 2019
Sheraton, 2nd Floor, Liberty BC

1:30 PM - EN07.09.01
Halide Perovskites—From Understanding Fundamental Physics to Optoelectronic Applications

Dibyajyoti Ghosh1,Sergei Tretiak1

Los Alamos National Laboratory1

Show Abstract

2:00 PM - EN07.09.02
Mechanisms for Hydrogen Evolution on Transition Metal Phosphides and Pt

Chenyang Li1,Per Lindgren2,Georg Kastlunger2,Andrew Peterson2,Tim Mueller1

Johns Hopkins University1,Brown University2

Show Abstract

2:15 PM - EN07.09.03
Investigation of the Influence of Electrolyte Temperature on the Performance of Cu2O towards Solar Water Splitting

Iqra Reyaz Hamdani1,Ashok Bhaskarwar1

Indian Institute of Technology Delhi1

Show Abstract

2:30 PM - EN07.09.04
Highly Flexible and Porously Structured Metal Phosphide/MXene Arrays as Efficient Bifunctional Electrocatalysts for Overall Water Splitting

Clament Sagaya Selvam Neethinathan1,Gwan Hyun Choi1,Piljin Yoo1

Sungkyunkwan university1

Show Abstract

2:45 PM - EN07.09.05
Wafer Scale Synthesis of MoS2-Graphene Heterostructure at Low Temperature and its HER Application

Kubra Aydin1,Hyeong-U Kim2,Vinit Kanade1,Mansu Kim3,Hyunho Seok1,Changmin Kim3,Dongmok Whang3,Jae-Hyun Lee4,Tae Sung Kim3,1

Sungkyunkwan University Advanced Institute of NanoTechnology1,Northwestern University2,Sungkyunkwan University3,Ajou University4

Show Abstract

3:00 PM -

3:30 PM - EN07.09.06
Understanding Photoelectrode/Catalyst Interface for Solar Water Splitting

Dunwei Wang1

Boston College1

Show Abstract

4:00 PM - EN07.09.07
Water Oxidation by Manganese Oxide Systems—Molecular and Layered Catalysts Inspired by Nature

Michael Zdilla1,Daniel Strongin1,Eric Borguet1,John Perdew1,Michael Klein1,Ian McKendry2,Haowei Peng1,Richard Remsing1,Ran Ding1

Temple University1,Los Alamos National Laboratory2

Show Abstract

4:15 PM - EN07.09.08
InGaAsP as a Promising Narrow Band Gap Semiconductor for Photoelectrochemical Water Splitting

Joshua Butson1,Parvathala Narangari1,Mykhaylo Lysevych1,Jennifer Wong-Leung1,Yimao Wan1,Siva Karuturi1,Hoe Tan1,Chennupati Jagadish1

The Australian National University1

Show Abstract

2019-12-06   Show All Abstracts

Symposium Organizers

Maytal Caspary Toroker, Technion-Israel Institute of Technology
Francesc Illas, University of Barcelona
Michele Pavone, University of Napoli Federico II
Guofeng Wang, University of Pittsburgh
EN07.10: Metal and Metal Oxide Catalysts
Session Chairs
Maytal Caspary Toroker
Yelena Gorlin
Friday AM, December 06, 2019
Hynes, Level 2, Room 203

8:30 AM - EN07.10.01
Identifying Active Surface Entities on Metal Oxides for Oxygen Evolution by Multimodal Surface X-Ray Probes

Hua Zhou1

Argonne National Laboratory1

Show Abstract

9:00 AM - EN07.10.02
Self-Assembling Oxide Catalyst for Electrochemical Water Splitting

Ilia Valov1,Daniel Bick2,Deok-Yong Cho3,David Mueller1,Rainer Waser2

Research Center Juelich1,RWTH Aachen University2,Chonbuk University3

Show Abstract

9:15 AM - EN07.10.03
In Situ Probing of Ultrafast Electrochemical Reactions with High Catalyst Mass Activities for Efficient Water Splitting

Feng-Yuan Zhang1

University of Tennessee1

Show Abstract

9:30 AM - EN07.10.04
Tailored Nickel-Iron Layered Double Hydroxide Platelet Size for Optimized Oxygen Evolution Reaction Catalysis

Daire Tyndall1,Valeria Nicolosi1,João Coelho1,Sonia Jaskaniec1

Trinity College Dublin1

Show Abstract

9:45 AM - EN07.10.05
Synthesis of Titanium Oxynitride Thin Films with Tunable Bandgaps for Alternative Energy Applications in the Full Solar Spectrum Range

Dhananjay Kumar1,Nikhil Mucha1,Surabhi Shaji1,Manosi Roy1,Balamurugan Balasubramanian2,Prakash Apte1

North Carolina A&T State University1,University of Nebraska–Lincoln2

Show Abstract

10:00 AM -

10:30 AM - EN07.10.06
Electrocatalytic Activity of Pd-CeO2 Catalysts for Anion Exchange Membrane Fuel Cells

Sanjubala Sahoo1,Pamir Alpay1,Hamish Miller2,Dario Dekel3

University of Connecticut1,Istituto di Chimica dei Composti Organometallici2,The Wolfson Department of Chemical Engineering, and the Nancy and Stephan Grand Technion Energy program (GTEP), Technion- Israel Institute of Technology3

Show Abstract

11:00 AM - EN07.10.07
Enhancing the Activity of Molybdenum Diselenide for Electrocatalytic Hydrogen Evolution via Transition-Metal Doping

Akash Jain1,Vasu Kuraganti2,Maya Bar-Sadan2,Ashwin Ramasubramaniam1

University of Massachusetts Amherst1,Ben-Gurion University of the Negev2

Show Abstract

11:15 AM - EN07.10.08
Role of Defects and Polarons in Surface Morphology and Electronic Structure in BiVO4

Wennie Wang1,Giulia Galli1,2

The University of Chicago1,Argonne National Laboratory2

Show Abstract

11:30 AM - EN07.10.09
Enhanced Catalytic Activity of Edge-Exposed 1T Phase WS2 Grown Directly on WO3 Nanohelical Array for Water Splitting

Noho Lee1,Il Yong Choi1,Kyung-Yeon Doh1,Jaewon Kim1,Hyeji Sim1,Donghwa Lee1,Si-Young Choi1,Jong Kyu Kim1


Show Abstract

11:45 AM - EN07.10.10
“All Electric” Ion Pumps

Gideon Segev1,2,Shane Ardo3,Rylan Kautz3,David Larson1,Joel Ager1,4,Francesca Maria Toma1

Lawrence Berkeley National Laboratory1,Tel Aviv University2,University of California, Irvine3,University of California, Berkeley4

Show Abstract

EN07.11: Novel Water-Splitting Catalysts II
Session Chairs
Pamir Alpay
Dunwei Wang
Friday PM, December 06, 2019
Hynes, Level 2, Room 203

1:30 PM - EN07.11.01
Implicit Solvation with Periodic Boundary Conditions—Implementation and Application to Reactions at Interfaces

Carlo Adamo1,2

Chimie Paristech-CNRS1,Institut Universitaire de France2

Show Abstract

2:00 PM - EN07.11.02
Anchoring Ir Single Atom Sites on NiFe Oxyhydroxides for High-Efficient Water Oxidation Reaction

Xueli Zheng1,Yi Cui1

Stanford University1

Show Abstract

2:15 PM - EN07.11.03
Kinetics of Photogenerated Charge Carriers at Semiconductor-Electrolyte Interface in Photoelectrochemical Water-Splitting

Chang-Ming Jiang1,Jason Cooper2,Ian Sharp1

Technical University of Munich1,Lawrence Berkeley National Laboratory2

Show Abstract

2:30 PM -

3:00 PM - EN07.11.04
InGaN-Si Tandem Photoelectrodes for Photoelectrochemical Water Splitting by MOCVD—Understanding System Design Considerations Necessary to Bridge Theory and Experiment

Andrew Wong1,2,Ye Sheng Yee1,Thomas Jaramillo1,2,James Harris1

Stanford University1,SLAC National Accelerator Laboratory2

Show Abstract

3:15 PM - EN07.11.05
Novel Stable Three-Dimensional (3D) Stainless Steel-Based Electrodes for Efficient Water Splitting

Haojie Zhang1,Juliana Martins de Souza e Silva1,Xiaopeng Li2,A. Wouter Maijenburg1,Stefan Schweizer1,Ralf Wehrspohn1,3

Martin-Luther-Universität Halle-Wittenberg1,Shanghai Advanced Research Institute, Chinses Academic of Science (SARI-CAS)2,Fraunhofer-Institut für Mikrostruktur von Werkstoffen und Systemen IMWS3

Show Abstract

Symposium Support