98. 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)

97. 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"

(submitted)

96. 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"

(submitted)

95. 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"

(submitted)

94. 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"

(submitted)

93. 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 Catalysts for Ultrahigh Fuel Cell Cathode Performance"

(submitted)

92. 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"

(submitted)

91. 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*; 

"Precise CO2-to-HCOOH Valorization Enabled by a Multiscale Optimized Cu-Bi Cathodic Architecture"

(submitted)

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 Metal Sites"

Nano Energy (accepted) 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 (accepted)

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 (accepted) 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 (accepted)

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 (accepted) 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"

Nature Communications 15, 192 (2024) Link

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

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 

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 

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 

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 

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 

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 

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 

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 

5. S. Back; M. Yeom; Y. Jung*;

”Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO”

ACS Catalysis, 5, 5089 (2015) (selected as ACS Editor's Choice) Link 

4. S. Back; H. Kim; Y. Jung*;

”Selective Heterogenous CO2 Electroreduction to Methanol”

ACS Catalysis, 5, 965 (2015) Link 

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 

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