Artificial Intelligence & Energy Materials Group
Submitted
109. H. Kim#; J. Mo#; J. M. Kim#; T. Jeong; M. Kim*; S. Back*; J. Cho*;
"High-performance Bifunctional Alkaline Water-splitting Textile Electrodes using Chemical Reduction Monolayer Assembly"
(submitted)
108. C. Kim#; H. Y. Jang#; H. Min#; J. Choi; S. Choi; S. Back*; J. H. Moon*;
"Catalyzing Methane Oxidation with OER-Derived Oxygen: Screening and Mechanistic Analysis of RuO2"
(submitted)
107. K. Jin#; D. Nam#; T. H. Jo#; K. H. Kim; H. Kang; Y. Kim; S. W. Lee; S. Back*; Y. Ko*; J. Cho*;
"Ultrathin, Layer-by-Layer Assembled Lithiophilic Interlayers for Dendritic Growth-Suppressed Lithium Metal Anodes"
(submitted)
106. D. Lee#; J. Lee#; G. Yu; K. Kim; J. Kim; D. H. Mok; A. Jang; M. Jung; H. Ahn; S. Back*; T. Hyeon*; C. Lee*;
"Edge-site Engineering of Single-atom Iron Catalysts for Enhanced Fe(IV)═O Generation via Peroxymonosulfate Activation"
(submitted)
105. J. Shim#; J. Lee#; H. Shin#; D. H. Mok; S. Heo; V. K. Paidi; B-H. Lee; H. S. Lee; J. Yang; D. Shin; J. Moon; K. Kim; M. Jung; P. Glatzel; S. Back*; K-S. Lee*; Y-E. Sung*; T. Hyeon*;
"Efficient H2O2 Electrosynthesis in Acidic Media via Multiscale Catalyst Optimization"
(submitted)
104. I. Kim#; G-B. Lee#; S. Kim#; H. D. Jung#; J-Y. Kim; T. Lee; G. Kang; S-H. Oh; H. Choi; W. Kwon; D. Hong; H. G. Kim; Y. Lee; U. Kim; H. Kim; M. Kim; S. Back*; J. Park*; Y-C. Joo*; D-H. Nam*;
"Unveiling the Reconstruction of Copper Alloy Catalysts during Electrochemical CO2 Reduction"
(submitted)
103. D. H. Mok#; J. Lim#; H. Chang; J. Shin; J. Jang; U. Sim; G. H. Gu*; S. Back*;
"Machine Learning High-Throughput Screening of Double Perovskites for Enhanced Acidic Oxygen Evolution"
(submitted)
2024
102. G. Yu, D. H. Mok, H. Y. Jang, H. D. Jung, S. Siahrostami*, S. Back*;
"Leveraging Machine Learning and Active Motifs-based Catalyst Design for Discovery of Oxygen Reduction Electrocatalysts for Hydrogen Peroxide Production"
Journal of Catalysis (accepted)
101. Y. Park#; H. Y. Jang#; T. Lee#; T. Kim#; D. Kim; D. Kim; D. Kim; H. Baik; T. Kwon*; S. J. Yoo*; S. Back*; K. Lee*;
"Rutile-type (RuIr)O2 with Atomic-level Ru–Ir Mixing: Highly Efficient and Durable Electrocatalyst for Oxygen Evolution Reactions"
Nature Communications (accepted)
100. D. H. Mok; S. Back*;
"Generative Pretrained Transformer for Heterogeneous Catalysts"
Journal of the American Chemical Society 146, 33712 (2024) Link Press
99. M. A. Lee#; H. Y. Jang#; J. Lee; J. Byun; Y. Jung; J. H. Song; J-S. Yu; H-K. Song; C. Hwang*; S. Back*; H-s. Kim*;
"Underlying Mechanism of Electrolyte Compositional Engineering Based on Additive Solvation-Structure Governing Solid Electrolyte Interphase Formation in Lithium-Ion Batteries"
Small 2407910 (2024) Link
98. K. Ye#; T-W. Jiang#; H. D. Jung; P. Shen; S. M. Jang; Z. Weng; S. Back*; W-B. Cai*; K. Jiang*;
"Molecular Level Insights on the Pulsed Electrochemical CO2 Reduction"
Nature Communications 15, 9781 (2024) Link
97. B-J. Lee#; S-M. Jung#; G. Yu; H-Y. Kim; J. Kwon; K-S. Kim; J. Kwak; W. Lee; D. H. Mok; S. Back*; Y-T. Kim*;
"Highly Active and Stable Al-doped NiFe Self-supported Oxygen Evolution Reaction Electrode for Alkaline Water Electrolysis"
ACS Catalysis (accepted)
96. M. Maulana; T. H. Jo; H-Y. Lee; C. Lee; C. Gyan-Barimah; C-H. Shin; J-H. Yu; K-S. Lee; S. Back*; J-S. Yu*;
"Cobalt Nitride-Implanted PtCo Intermetallic Nanocatalysts for Ultrahigh Fuel Cell Cathode Performance"
Journal of the American Chemical Society 146, 30922 (2024) Link Press
95. J. Wu; Z. Ren; X. Xu; D. H. Mok; K. Ye; P. Shen; W. Zhang; .B. Ni; S. Wan; G. Yu; W-B. Cai; S. Back; J. Wang*; K. Jiang*;
"Chemical Bath Deposition of NiFe Alloy Anode for Efficient Alkaline Water Electrolyzer Integration"
Small 2407374 (2024) Link
94. S. Wang#; H. D. Jung#; H. Choi; J. Kim; S. Back*; J. Oh*;
"Delicate Control of a Gold-Copper Oxide Tandem Structure Enables the Efficient Production of High- Value Chemicals by Electrochemical Carbon Dioxide Reduction"
Nano Energy 130, 110176 (2024) Link
93. S-H. Yoo; W. Lee; H. Y. Jang; K-S. Kim; J. Baek; G. Choe; V. Paidi; S. Back; K-S. Lee*; Y-T. Kim*;
"Optimizing the Atomic Structure of Ruthenium Deposited on Commercial Pt/C Cathode Catalysts to Enhance Durability of Automotive Fuel Cell"
Applied Catalysis B: Environment and Energy 359, 124486 (2024) Link
92. G. Zhang; B. Tan; D. H. Mok; B. Ni; G. Zhao; K. Ye; X. Miao; X. Liu; Z. Zhang*; W-B. Cai; S. Back*; K. Jiang*;
"Electrifying HCOOH Synthesis from CO2 Building Blocks over Cu-Bi Nanorod Arrays"
Proceedings of the National Academy of Sciences 121, (29) e2400898121 (2024) Link
91. E. Hwang#; M. Kim#; W. Lee#; Y. Park; W. Jeong; Y. Hwang; S. Bang; G. Kim; L. Moreau; H. B. Son; S. Back*; D-H. Ha*;
"Cation-Exchange-Induced Structural and Chemical Modulation of Transition Metal Spinel Sulfides to Enhance Their Oxygen Evolution Performance"
Chemical Engineering Journal 494, 152903 (2024) Link
90. Y. Wang#; J. Kim#; H. D. Jung; J. Liu; K. Ye; C. Xia; S. Back*; K. Jiang*;
"Understanding the First Activation Step of Electrochemical CO2 Reduction over Ag and Ni-N-C Active Sites "
Nano Energy 127, 109728 (2024) Link
89. D. Wang#; H. D. Jung#; S. Liu; J. Chen; H. Yang; T. Zhang; Q. He*; S. Xi*; S. Back*; L. Wang*;
"Revealing the Structural Evolution of CuAg Composites during Electrochemical Carbon Monoxide Reduction"
Nature Communications 15, 4692 (2024) Link
88. K. Lee#; J. Shim#; H. Ji#; J. Kim; H. S. Lee; H. Shin; M. S. Bootharaju; K-S. Lee; W. Ko; J. Lee; K. Kim; S. Yoo; S. Heo; J. Ryu; S. Back*; B-H. Lee*; Y-E. Sung*; T. Hyeon*;
"Tailoring Cobalt Spinel Oxide with Site-specific Single Atom Incorporation for High-performance Electrocatalysis"
Energy & Environmental Science 17, 3618 (2024) Link
87. J. Ma#; J. H. Cho#; C. Lee#; M. S. Kang; S. Choi; H. W. Jang; S. H. Ahn; S. Back*; S. Y. Kim*;
"Unraveling the Harmonious Coexistence of Ruthenium States on a Self-Standing Electrode for Enhanced Hydrogen Evolution Reaction"
Energy & Environmental Materials 0, e12766 (2024) Link
86. Y. Lee#; C. Lee#; S. Back*; Y. J. Sa*;
"Electronic Structure Modification of Metal Phthalocyanines by Carbon Nanotube Support for Efficient Oxygen Reduction to Hydrogen Peroxide"
Nanoscale 16, 9545 (2024) Link
85. K. Yeom#; J. Jo#; H. Shin; H. Ji; S. Moon; J. E. Park; S. Lee; J. Shim; D. H. Mok; S. Back*; T. Hyeon*; Y-E. Sung*;
"Unraveling Surface Reconstruction during Oxygen Evolution Reaction on the Defined Spinel Oxide Surface"
Advanced Functional Materials, 2401095 (2024) Link
84. D. H. Mok; S. Back*; S. Siahrostami*;
"Validating ΔΔG Selectivity Descriptor for Electrosynthesis of H2O2 from Oxygen Reduction Reaction"
Angewandte Chemie International Edition, e202404677 (2024) Link
83. J. Byun; W. Kim; H. Y. Jang; M. A. Lee; C. R. Lee; C. Hwang; J. H. Song; J. Yu; S. Back*; K. J. Kim*; H-s. Kim*;
"Surface Work Function Modifier to Modulate Electrolyte Decomposition on Negative Electrode in Lithium-ion Batteries"
Advanced Functional Materials 2401620 (2024) Link
82. J. H. Cho#; J. Ma#; C. Lee#; J. W. Lim; Y. H. Kim; H. Y. Jang; Y. J. Jang; S. H. Ahn; H. W. Jang; S. Back*; J-L. Lee*; S. Y. Kim*;
"Crystallographically Vacancy-Induced MOF Nanosheet as Rational Single-Atom Support for Accelerating CO2 Electroreduction to CO"
Carbon Energy, e510 (2024) Link
81. D-Y. Han#; I. K. Han#; H. Y. Jang#; S. Kim; J. Y. Kwon; J. Park; S Back*; S. Park*; J. Ryu*;
"Interface Engineering of Si-based Anodes with Fluorinated Binder Enabling Lean-additive Lithium-ion Batteries"
Energy Storage Materials 65, 103176 (2024) Link
80. S. Back*; A. Aspuru-Guzik; M. Ceriotti; G. Gryn’ova; B. Grzybowski; G. H. Gu; J. Hein; K. Hippalgaonkar; R. Hormázabal; Y. Jung; S. Kim; W. Y. Kim; S. M. Moosavi; J. Noh; C. Park; J. Schrier; P. Schwaller; K. Tsuda; T. Vegge; O. A. Lilienfeld; A. Walsh;
"Accelerated Chemical Science with AI"
Digital Discovery 3, 23 (2024) Link
79. J. Lee#; W. Lee#; S. Back#; S. Y. Yi; S. Lee; S. Kim; J. Moon; D-Y. Koh; K. Kim; S. Back*; J. Lee*;
"Activating Iodine Redox by Enabling Single-Atom Coordination to Dormant Nitrogen Sites to Realize Durable Zinc–Iodine Batteries"
EES Catalysis 2, 276 (2024) Link
78. J. Kim#; T. Lee#; H. D. Jung#; M. Kim; B. Kang; H. Jung; J. Park; D. Bae; S. Back*; Y. Lee*; D-H. Nam*;
"Vitamin C-induced CO2 Capture Enables High-rate Ethylene Production in CO2 Electroreduction"
2023
77. H. D. Jung; S. Back*;
"Theoretical study of CO2 electroreduction to C3+ liquid chemicals"
Preview of "Engineering Bimetallic Interface and Revealing the Mechanism for CO2 Electroreduction Reaction to C3+ Liquid Chemicals" published in Cell Reports Physical Science
Chem Catalysis 3, 100845 (2023) Link
76. C. R. Lee; H. Y. Jang; H. J. Lee; M. A. Lee; W. Kim; J. Kim; J. Yu; J. Mun*; S. Back*; H-s. Kim*;
"Surface Work Function-Induced Thermally Vulnerable Solid Electrolyte Interphase Formation on the Negative Electrode for Lithium-Ion Batteries"
Advanced Energy Materials, 2302906 (2023) (Selected as Back Cover) Link
75. J. Kim#; D. H. Mok#; H. Kim*; S. Back*;
"Accelerating the Search for New Solid Electrolytes: Exploring Vast Chemical Space with Machine Learning-Enabled Computational Calculations"
ACS Applied Materials & Interfaces, 15, 45, 52427 (2023) Link Press Github
74. D. H. Mok#; H. Li#; G. Zhang; C. Lee; K. Jiang*; S. Back*;
"Data-driven Discovery of Electrocatalysts for CO2 Reduction using Active Motifs-based Machine Learning"
Nature Communications, 14, 7303 (2023) Link Press1 Press2 Highlighted in Nature Energy Github
73. J. Jang#; K. Lee#; H. Shin; H. S. Lee; B-H. Lee; J. Jeong; J. Kim; W. Hwang; S Park; M. Bootharaju; S. Back; J. Shim; J. H. Kim; T. Hyeon*; Y-E. Sung*;
"Distinct Reconstruction of Aluminum-doped Oxide-derived Copper Enhances Selectivity of C2+ Products in CO2 Electroreduction"
Journal of Materials Chemistry A, 11, 19066 (2023) Link
72. S. Y. Yi#; E. Choi#; H. Y. Jang#; S. Lee; J. Park; D. Choi; Y. Jang; H. Kang; S. Back*; S. Jang*; J. Lee*;
"Insight into Defect Engineering of Atomically Dispersed Iron Electrocatalysts for High-Performance Proton Exchange Membrane Fuel Cell"
Advanced Materials, 2302666 (2023) Link
71. K. Lee#; J. Shim#; H. Y. Jang; H. S. Lee; H. Shin; B-H. Lee; M. Bootharaju; K-S. Lee; J. Lee; S. Lee; Y-H. Lee; C. W. Lee; G. Deng; S. Yoo; S. Back*; Y-E. Sung*; T. Hyeon*;
"Modulating the Valence Electronic Structure using Earth-abundant Aluminum for High Performance Acidic Oxygen Evolution Reaction"
Chem, 9, 1 (2023) Link
70. A. Yohannes#; C. Lee#; P. Talebi; D. H. Mok; M. Karamad*; S. Back*; S. Siahrostami*;
"Combined High throughput DFT and ML Screening of Transition Metal Nitrides for Electrochemical CO2 Reduction"
ACS Catalysis, 13, 9007 (2023) Link
69. K. Bejigo; K. Bhunia; J. Kim; C. Lee; S. Back; S-J. Kim*;
"Upcycling End of Lithium Cobalt Oxide Batteries to Electrocatalyst for Oxygen Reduction Reaction in Direct Methanol Fuel Cell via Sustainable Approach"
Journal of Energy Chemistry, 82, 148 (2023) Link
68. S-H. You; S-M. Jung; K-S. Kim; J. Lee; J. Park; H. Y. Jang; S. Shin; H. Lee; S. Back; J. Lee; Y-T. Kim*;
”Enhanced Durability of Automotive Fuel Cells via Selectivity Implementation by Hydrogen Spillover on the Electrocatalyst Surface”
ACS Energy Letters, 8, 5, 2201 (2023) (Selected as Cover) Link
67. D. H. Mok#; D. Shin#; J. Na*; S. Back*;
"Chemically Inspired Convolutional Neural Network using Electronic Structure Representation"
Journal of Materials Chemistry A, 11, 10184 (2023) (Selected as Back Cover) Link Press
66. N. Lee#; H. Y. Jang#; K. Shim#; S-M. Jung; S-H. You; H. S. Kang; J. K. Kim*; S. Back*; Y-T. Kim*;
"Enhanced Activity and Selectivity for Electrochemical CO2 Reduction through Water Activation by Oxophilic Metal Deposited on Ag"
ACS Applied Energy Materials, 6, 8, 4413 (2023) Link
65. K. Kim#; J. Lee#; O. K. Park#; J. Kim; J. Kim; D. Lee; V. Paidi; E. Jung; H. S. Lee; B. Lee; C. W. Lee; W. Ko; K. Lee; Y. Jung; C. Lee; N. Lee*; S. Back*; S. H. Choi*; T. Hyeon*;
”Geometric Tuning of Single-Atom FeN4 Sites via Edge-Generation Enhances Multi-Enzymatic Properties”
Advanced Materials, 2207666 (2023) Link
64. D. H. Mok; J. Kim; S. Back*;
”Direction-based Graph Representation to Accelerate Stable Catalysts Discovery “
Chemistry of Materials, 35, 1,63 (2023) Link Press Github
2022
63. J. H. Cho#; C. Lee#; S. H. Hong; H. Y. Jang; S. Back; M. Seo; M. Lee; H-K. Min; Y. Choi; Y. J. Jang; S. H. Ahn*; H. W. Jang*; S. Y. Kim*;
”Transition Metal Ion Doping on ZIF-8 for Enhances the Electrochemical CO2 Reduction Reaction”
Advanced Materials, 2208224 (2022) Link
62. H. J. Lee#; Y. Shirke#; J. Kim#; H. J. Yu; C. H. Yoo; S. Back*; J. D. Jeon*; J. S. Lee*;
”Tailoring Molecular Structures of UiO-66-NH2 for High Performance H2O/N2 Separation Membranes: A Synergistic Effect of Hydrophilic Modification and Defect Engineering”
Journal of Membrane Science, 121096 (2022) Link
61. W. Lee; J. Kim; S. Back*;
”Catalytic Activity Trends of Pyrite Transition Metal Dichalcogenides for Oxygen Reduction and Evolution”
Physical Chemistry Chemical Physics, 24, 19911 (2022) Link
60. K-S. Kim#; S-A. Park#; H. D. Jung; S-M. Jung; H-W. Jung; H. Woo; D. Ahn; S. Park; S. Back*; Y-T. Kim*;
”Promoting Oxygen Evolution Reaction Induced by Synergetic Geometric and Electronic Effects of IrCo Thin-Film Electrocatalysts”
ACS Catalysis, 12, 6334 (2022) Link
59. J. Jo#; J. M. Yoo#; D. H. Mok; H. Y. Jang; J. Kim; W. Ko; K. B. Yeom; M. Bootharaju; S. Back*; Y-E. Sung*; T. Hyeon*;
”Facet-defined Strain-free Spinel Oxide for Oxygen Reduction Electrocatalysis”
Nano Letters, 22, 3636 (2022) Link
58. J. Choi#; A. Jin#; H. D. Jung#; D. Ko; J. H. Um; Y. J. Choi; S. H. Kim; S. Back*; S-H. Yu*; Y. Piao*;
”Nitrogen and Sulfur Co-doped Graphene Nanoribbons with Well-ordered Stepped Edges for High-performance Potassium-ion Battery Anodes"
Energy Storage Materials, 48, 325 (2022) Link
57. S. Back#*; A. Mostaghimi#; S. Siahrostami*;
”Enhancing Oxygen Reduction Reaction Activity Using Single Atom Catalyst Supported on Tantalum Pentoxide”
ChemCatChem, 14, e202101763 (2022) Link
56. J. Lee#; S. W. Choi#; S. Back; H. Jang*; Y. J. Sa*;
”Pd17Se15-Pd3B Nanocoral Electrocatalyst for Selective Oxygen Reduction to Hydrogen Peroxide in Near-Neutral Electrolyte”
Applied Catalysis B, 121265 (2022) Link
55. J. Kim#; S. Kim#; E. Jung#; D. H. Mok; V. Paidi; J. Lee; H. Lee; Y. Jeoun; W. Ko; H. Shin; B. Lee; S. Kim; H. Kim; J. Kim; S. Cho; K. Lee; S. Back*; S-H. Yu*; Y-E. Sung*; T. Hyeon*;
”Atomic Structure Modification of Fe‒N‒C Catalysts via Morphology Engineering of Graphene for Enhanced Conversion Kinetics of Lithium–Sulfur Batteries”
Advanced Functional Materials, 2110857 (2022) Link
54. Q. Yuan#; J. Zhao#; D. H. Mok#; Z. Zheng; Y. Ye; C. Liang; L. Zhou; S. Back*; K. Jiang*;
”Electrochemical Hydrogen Peroxide Synthesis from Selective Oxygen Reduction over Metal Selenide Catalysts”
Nano Letters, 22, 1257 (2022) (Selected as Cover) Link
53. J. Kim#; W. Ko#; J. M. Yoo; V. Paidi; H. Y. Jang; M. Shepit, J. Lee; H. Chang; H. S. Lee; J. Jo; B. H. Kim; S-P. Cho, J. Lierop; D. Kim; K-S. Lee*; S. Back*; Y-E. Sung*; T. Hyeon*;
”Structural Insights into Multi-metal Spinel Oxide Nanoparticles for Boosting Oxygen Reduction Electrocatalysis”
Advanced Materials, 2107868 (2022) (Selected as Back Cover) Link
2021
52. D. H. Mok; S. Back*;
”Atomic Structure-free Representation of Active Motifs for Expedited Catalyst Discovery”
Journal of Chemical Information and Modeling, 61, 4514 (2021) Link Github
51. D. Dao; H. D. Jung; T. Nguyen; S. Ki; H. Son; K. Bae; T. Le; Y. Cho; J. Yang; Y. Yu; S. Back*; I. Lee*;
”Defect-rich N-doped CeO2 Supported by N-doped Graphene as an Efficient Metal-free Plasmonic Hydrogen Evolution Photocatalyst under Visible-light”
Journal of Materials Chemistry A, 9, 10217 (2021) Link
50. S-A. Park#; K-S. Kim#; H. D. Jung; S-M. Jung; Y. Moon; S. Back*; Y-T. Kim*;
”Three-dimensionally Interconnected Nanoporous IrRe Thin Film Prepared by Selective Etching of Re for Oxygen Evolution Reaction”
ACS Applied Energy Materials, 4, 4173 (2021) Link
49. S. Back*#; J. Na#; Z. Ulissi*;
”Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis through Active Motif Screening”
ACS Catalysis, 11, 2483 (2021) Link
48. H. An; K. Cho; S. Back; X. Do; J. Jeon; H. Lee; K. Baek; J. Lee*;
”The Significance of the Interfacial Interaction in Mixed Matrix Membranes for Enhanced Propylene/Propane Separation Performance and Plasticization Resistance”
Separation and Purification Technology, 261, 118279 (2021) Link
47. K. Jiang*; X. Ma; S. Back*; J. Zhao; F. Jiang; X. Qin; J. Zhang; W. Cai*;
”Spectroelectrochemical and Computational Identification of Platinum Coordination Structures in Single Atom Catalyst”
CCS Chemistry, 3, 241 (2021) Link
46. X. Shi#; S. Back#; T. Gill#; S. Siahrostami*; X. Zheng*;
”Electrochemical Synthesis of H2O2 by Two-electron Water Oxidation Reaction”
Chem, 7, 1, 38 (2021) Link
45. H. Yu; J. Shin; A. Lee; S. Hwang; S. Back*; J. Lee*;
”Tailoring Selective Pores of Carbon Molecular Sieve Membranes Towards Enhanced N2/CH4 Separation Efficiency”
Journal of Membrane Science, 620, 118814 (2021) Link
2020
44. S. Back*#; J. Na#; K. Tran; Z. Ulissi*;
”In Silico Discovery of Active, Stable, CO-tolerant and Cost-effective Electrocatalysts for Hydrogen Evolution and Oxidation”
Physical Chemistry Chemical Physics, 22, 19454 (2020) Link
43. M. Cichocka; Z. Liang; D. Feng; S. Back; S. Siahrostami; X. Wang; Y. Sun; H. Xu; N. Hedin; H. Zheng; X. Zou; H. Zhou; Z. Huang;
”A Porphyrinic Zirconium Metal-Organic Framework for Oxygen Reduction Reaction: Tailoring the Spacing between Active-Sites through Chain-Based Inorganic Building Units”
Journal of the American Chemical Society, 142, 36, 15386 (2020) Link
42. S. Back*; K. Tran; Z. Ulissi*;
”Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides”
ACS Applied Materials & Interfaces, 12, 34, 38256 (2020) Link
41. S. Siahrostami*; S. Villegas; A. Mostaghimi; S. Back; A. Farimani; H. Wang; K. Persson; J. Montoya;
”A Review on Challenges and Successes in Atomic Scale Design of Catalysts for Electrochemical Synthesis of Hydrogen Peroxide”
ACS Catalysis, 10, 14, 7495 (2020) Link
40. G. Gu; J. Noh; S. Kim; S. Back; Z. Ulissi; Y. Jung*
”Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening”
The Journal of Physical Chemistry Letters, 11, 9, 3185 (2020) Link
39. E. Lopato; E. Eikey; Z. Simon; S. Back; K. Tran; J. Lewis: J. Kowalewski; S. Yazdi; J. Kitchin; Z. Ulissi; J. Millstone; S. Bernhard*
"Parallelized Screening of Characterized and DFT-Modelled Bimetallic Colloidal Co-Catalysts for Photocatalytic Hydrogen Evolution"
ACS Catalysis, 10, 7, 4244 (2020) Link
Before Sogang (-2020.2)
38. C. Xia#; S. Back#; S. Ringe#; K. Jiang; F. Chen; X. Sun; S. Siahrostami*; K. Chan*; H. Wang*;
”Confined Local Oxygen Gas Promotes Electrochemical Water Oxidation to Hydrogen Peroxide”
Nature Catalysis, 3, 125 (2020) Link Highlighted In Nature Catalysis
2019
37. A. Palizhati; W. Zhong; K. Tran; S. Back; Z. Ulissi*;
”Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks”
Journal of Chemical Information and Modeling, 59, 4742 (2019) Link
36. W. Zhao; P. Bothra; Z. Lu; Y. Li; L. Mei; K. Liu; Z. Zhao; G. Chen; S. Back; S. Siahrostami; A. Kulkarni; J. Xu: H. Chen; J. Nørskov; M. Bajdich*; Y. Cui*;
”Improved Oxygen Reduction Reaction Activity of Nanostructured CoS2 through Electrochemical Tuning”
ACS Applied Energy Materials, 2, 8605 (2019) Link
35. K. Jiang#; S. Back#; A. Akey; C. Xia; Y. Hu; W. Liang; D. Schaak; E. Stavitski; J. Nørskov; S. Siahrostami*; H. Wang*;
”Highly Selective Oxygen Reduction to Hydrogen Peroxide on Transition Metal Single Atom Coordination”
Nature Communications, 10, 3997 (2019) Link Featured in Canadian Light Source webpage
34. S. Back; K. Tran; Z. Ulissi*;
”Toward a Design of Active Oxygen Evolution Catalysts: Insights from Automated Density Functional Theory Calculations and Machine Learning”
ACS Catalysis, 5, 7651 (2019) Link
33. S. Back#; J. Yoon#; N. Tian; W. Zhong; K. Tran; Z. Ulissi*;
”Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High Throughput Screening of Catalysts”
The Journal of Physical Chemistry Letters, 10, 15, 4401 (2019) Link
32. M. Kreider; A. Gallo; S. Back; Y. Liu; S. Siahrostami; D. Nordlund; R. Sinclair; J. Nørskov; L. King*; T. Jaramillo*;
”Precious Metal-Free Nickel Nitride Catalyst for the Oxygen Reduction Reaction”
ACS Applied Materials & Interfaces, 11, 30, 26863 (2019) Link
31. H. J. Lee#; S. Back#; J. H. Lee; S. Choi; Y. Jung*; J. W. Choi*;
”Mixed Transition Metal Oxide with Vacancy-Induced Lattice Distortion for Enhanced Catalytic Activity of Oxygen Evolution Reaction”
ACS Catalysis, 9, 8, 7099 (2019) Link
30. S. Kelly#; X. Shi#; S. Back#; L. Vallez; S. Park; S. Siahrostami*; X. Zheng*; J. Nørskov*;
”ZnO as an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide”
ACS Catalysis, 9, 5, 4593 (2019) Link
29. S. Back; S. Siahrostami*;
”Noble Metals Supported Boron Nitride for Oxygen Reduction Reaction: A DFT Study”
Nanoscale Advances, 1, 1, 132 (2019) Link
28. S. Back; M. Hansen; Z. Zhao; J. Nørskov; S. Siahrostami*; M. Bajdich*;
”Prediction of Stable and Active (Oxy-hydro) Oxide Nanoislands on Noble Metal Supports for Electrochemical Oxygen Reduction Reaction”
ACS Applied Materials & Interfaces, 11, 2, 2006 (2019) Link
2018
27. K. Tran; A. Palizhati; S. Back; Z. Ulissi*;
”Dynamic Workflows for Routine Materials Discovery”
Journal of Chemical Information and Modeling, 58, 12, 2392 (2018) Link
26. Y. Singh; S. Back; Y. Jung*;
”Activating Transition Metal Dichalcogenides by Substitutional Nitrogen-doping for Potential ORR Electrocatalysts”
ChemElectroChem, 5, 1 (2018) Link
25. Y. Singh; S. Back; Y. Jung*;
”Computational Exploration of Borophane-supported Single Transition Metal Atoms as Potential Oxygen Reduction and Evolution Electrocatalysts”
Physical Chemistry Chemical Physics, 20, 21095 (2018) Link
24. C. Choi; S. Back; N. Kim; J. Lim; Y. Kim; Y. Jung*;
”Suppression of Hydrogen Evolution Reaction in Electrochemical N2 Reduction Using Single-Atom Catalysts: A Computational Guideline”
ACS Catalysis, 8, 7517 (2018) Link
23. J. Lim; S. Back; C. Choi; Y. Jung*;
”Ultralow Overpotential of Hydrogen Evolution Reaction Using Fe-Doped Defective Graphene: A Density Functional Study”
ChemCatChem, 10, 1 (2018) Link
22. H. Lim; J. Lim; C. Lee; S. Back; K. An; J. Shin; R. Ryoo; Y. Jung*; J. Park*;
”Boosting Hot Electron Flux and Catalytic Activity at Metal-oxide Interfaces of PtCo Bimetallic Nanoparticles”
Nature Communications, 9, 2235 (2018) Link
21. J. Noh; S. Back; J. Kim; Y. Jung*;
”Actively Learned Machine with Non-ab Initio Input Features towards Efficient CO2 Reduction Catalysts”
Chemical Science, 9, 5152 (2018) (selected as an inside-cover of the issue) Link
20. S. Back; A. Kulkarni; S. Siahrostami*;
”Single Metal Atoms Anchored in Two-Dimensional Materials: Bifunctional Catalysts for Fuel Cell Application”
ChemCatChem, 10, 3034 (2018) Link
19. H. Abroshan; P. Bothra; S. Back; A. Kulkarni; J. Nørskov; S. Siahrostami*;
”An Ultra-thin Cobalt-Oxide Overlayer Promotes Catalytic Activity of Cobalt Nitride for Oxygen Reduction Reaction”
The Journal of Physical Chemistry C, 122, 4783 (2018) Link
18. S. Back; M. Yeom; Y. Jung*;
”Understanding the Effects of Au Morphology on CO2 Electrocatalysis”
The Journal of Physical Chemistry C, 122, 4274 (2018) Link
17. M. Cho#; J. T. Song#; S. Back#; Y. Jung*; J. Oh*;
”The Role of Adsorbed CN and Cl on Au Electrode for Electrochemical CO2 Reduction”
ACS Catalysis, 8, 1178 (2018) Link
16. H. Tao; X. Sun; S. Back; Z. Han; Q. Zhu; A. Robertson; T. Ma; Q. Fan; B. Han*; Y. Jung*; Z. Sun*;
”Doping Palladium with Tellurium for Highly Selective Electrocatalytic Reduction of Aqueous CO2 to CO”
Chemical Science, 9, 483 (2018) Link
2017
15. Y-T. Kim*; P. Lopes; S. Park; A. Lee; J. Lim; H. Lee; S. Back; Y. Jung; N. Danilovic; V. Stamenkovic; J. Erlebacher; J. Snyder; N. Markovic*;
”Balancing Activity, Stability and Conductivity of Nanoporous Core Shell Ir/IrO2 Oxygen Evolution Catalysts”
Nature Communications, 8, 1449 (2017) Link
14. S. Oh, S. Back; W. Doh; S. Moon; J. Kim; Y. Jung*; J. Park*;
”Probing Surface Oxide Formations on SiO2-supported Platinum Nanocatalysts under CO Oxidation”
RSC Advances, 7, 45003 (2017) Link
13. J. Kim; H. Woo; S. Yun; H. Jung; S. Back; Y. Jung*; Y. Kim*;
”Highly Active and Selective Au Thin Layer on Cu Polycrystalline Surface Prepared by Galvanic Displacement for the Electrochemical Reduction of CO2 to CO”
Applied Catalysis B: Environmental, 213, 211 (2017) Link
12. S. Back; Y. Jung*;
”An Importance of Ligand Effects Breaking the Scaling Relation for Core-Shell Oxygen Reduction Catalysts”
ChemCatChem, 9, 3173 (2017) Link
11. S. Back; Y. Jung*;
”TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4”
ACS Energy Letters, 2, 969 (2017) Link
10. S. Back; J. Lim; N. Kim; Y. Kim; Y. Jung*;
”Single-Atom Catalysts for CO2 Electroreduction with Significant Activity and Selectivity Improvements”
Chemical Science, 8, 1090 (2017) Link
2016
9. S. Back; J. H. Kim; Y. Kim; Y. Jung*;
”Bi-functional Interface of Au and Cu for Improved CO2 Electroreduction”
ACS Applied Materials & Interfaces, 8, 23022 (2016) Link
8. T. Kwon; J. Park; H. Baik; S. Back; B. Blasiak; M. Cho; Y. Jung*; K. Lee*;
”Unexpected Solution Phase Formation of Hollow PtSn Alloy Nanoparticles from Sn Deposition on Pt Dendritic Structures”
CrystEngComm, 18, 6019 (2016) Link
7. S. Back; J. Kim; Y. Kim*; Y. Jung*;
”On the Mechanism of High Product Selectivity for HCOOH using Pb in CO2 Electroreduction”
Physical Chemistry Chemical Physics, 18, 9652 (2016) Link
6. S. Back; Y. Jung*;
”On the Mechanism of Electrochemical Ammonia Synthesis on the Ru Catalyst”
Physical Chemistry Chemical Physics, 18, 9161 (2016) Link
2015
2014
3. B. Kim; H. Kim; S. Back; K. Nam; Y. Jung; Y. Han*; J. Choi*;
”Improved Reversibility in Lithium-Oxygen Battery: Understanding Elementary Reactions and Surface Charge Engineering of Metal Alloy Catalyst”
Scientific Reports, 4, 4225 (2014) Link
2. S. Srinivasan; S. Je; S. Back; G. Barin; O. Buyukcakir; R. Guliyev; Y. Jung; A. Coskun*;
”Ordered Supramolecular Gels Based on Graphene Oxide and Tetracationic Cyclophanes”
Advanced Materials, 26, 2725 (2014) Link
2013
1. S. Back; J. Schmidt; H. Ji; J. Heo; Y. Jung*;
”On the Structure of Si (100) Surface: Importance of Higher Order Correlations for Buckled Dimer”
The Journal of Chemical Physics, 138, 204709 (2013) Link