105. Transfer and Dynamic Inversion of Co-Assembled Supramolecular Chirality through 2D-Sheet to Rolled-Up Tubular Structure
H Choi, KJ Cho, H Seo, J Ahn, J Liu, SS Lee, H Kim*, C Feng*, JH Jung*
Journal of the American Chemical Society, 139 (49), 17711-17714

104. Highly Selective Adsorption of p-Xylene over other C8 Aromatic Hydrocarbons by Co-CUK-1: A Combined Experimental and Theoretical Assessment
JW Yoon, JS Lee, GW Piburn, K-H Cho, K Jeon, H-K Lim, H Kim, C-H Jun, SM Humphrey*, R Krishna*, JS Chang*
Dalton Transactions, 46, 16096-16101

103. Distorted Carbon Nitride Structure with Substituted Benzene Moieties for Enhanced Visible Light Photocatalytic Activities
H Kim, S Gim, TH Jeon, H Kim, W Choi*
ACS Applied Materials & Interfaces, 9 (46), 40360-40368

102. New Features and Uncovered Benefits of Polycrystalline Magnetite as Reusable Catalysts in Reductive Chemical Conversion
S Bae*, S Gim, H Kim, V Dorcet, M Pasturel, J-M Grenèche, GK Darbha, K Hanna*
Journal of Physical Chemistry C, 121 (45), 25195-25205

101. A critical role of catalyst morphology in low temperature synthesis of carbon nanotube−transition metal oxide nanocomposite
X Jin, J Lim, Y Ha, NH Kwon, H Shin, IY Kim, N-S Lee, MH Kim, H Kim*, S-J Hwang*
Nanoscale, 9, 12416-12424

100. Zinc-Phosphorus Complex Working as Atomic Valve for Colloidal Growth of Monodisperse Indium Phosphide Quantum Dots
S Koh, T Eom, WD Kim, K Lee, D Lee, YK Lee, H Kim*, WK Bae*, DC Lee*
Chemistry of Materials, 29, 6346-6355

99. Oxygen reduction reaction at porphyrin-based electrochemical catalysts: Mechanistic effects of pH and spin states studied by density functional theory
S Kim, H Kim*
Catalysis Today, 295, 119-124

98. Facile CO2 Electro-reduction to Formate via Oxygen Bidentate Intermediate Stabilized by High-index Planes of Bi Dendrite Catalyst
JH Koh+, DH Won+, T Eom+, N-K Kim, KD Jung, H Kim*, YJ Hwang*, BK Min*
+equal contribution
ACS Catalysis, 7, 5071-5077

97. High-efficiency and high-power rechargeable lithium–sulfur dioxide batteries exploiting conventional carbonate-based electrolytes
H Park, H-D Lim, H-K Lim, WM Seong, S Moon, Y Ko, B Lee, Y Bae, H Kim, K Kang*
Nature Communications, 8, 14989

96. Polymorphic Phase Control Mechanism of Organic-Inorganic Hybrid Perovskite Engineered by Dual-Site Alloying
J Jeon, T Eom, E Lee, S Kim, S Kim, K-H Hong*, H Kim*
Journal of Physical Chemistry C, 121 (17), 9508-9515

95. Synergistic interaction of Re complex and amine functionalized multiple ligands in metal-organic frameworks for conversion of carbon dioxide
UJ Ryu+, SJ Kim+, H-K Lim+, H Kim*, KM Choi*, JK Kang*
+equal contribution
Scientific Reports, 7, 612

94. The Mechanism of Room-Temperature Ionic-Liquid-Based Electrochemical CO2 Reduction: A Review
H-K Lim*, H Kim*
Molecules (invited review), 22 (4), 536

93. Hybridization of a Metal–Organic Framework with a Two-Dimensional Metal Oxide Nanosheet: Optimization of Functionality and Stability
YK Jo, M Kim, X Jin, IY Kim, J Lim, N-S Lee, YK Hwang, J-S Chang, H Kim*, S-J Hwang*
Chemistry of Materials, 29 (3), 1028-1035

92. Band Gap Engineering of Cs3Bi2I9 Perovskites with Trivalent Atoms Using a Dual Metal Cation 
K-H Hong*, J Kim, L Debbichi, H Kim, SH Im
Journal of Physical Chemistry C, 121 (1), 969–974

91. Insight into Electrochemical CO2 Reduction on Surface Molecule-Mediated Ag Nanoparticles
C Kim+, T Eom+, MS Jee, H Jung, H Kim*, BK Min*, YJ Hwang*
+equal contribution
ACS Catalysis, 7, 779-785

90. Nitrate Reduction on the Surface of Bimetallic Catalysts Supported by Nano-crystalline Beta-zeolite (NBeta)
S Hamid, MA Kumar, J-I Han, H Kim, W Lee*
Green Chemistry, 19, 853-866


89. Laser-induced phase separation of silicon carbide
I Choi, HY Jeong, H Shin, G Kang, M Byun, H Kim, AM Chitu, JS Im, RS Ruoff, S-Y Choi*, KJ Lee*
Nature Communications, 7, 13562

88. Design of a Heterogeneous Catalytic Process for Continuous and Direct Synthesis of Lactide from Lactic Acid
P Upare, JW Yoon, D Hwang*, U-H Lee, YK Hwang, D-Y Hong, JC Kim, JH Lee, SK Kwak, H Shin, H Kim, J-S Chang*
Green Chemistry, 18, 5978-5983

87. Exfoliated Metal Oxide Nanosheets as Effective and Applicable Substrates for Atomically Dispersed Metal Nanoparticles with Tailorable Functionalities
J Seo, X Jin, M Kim, IY Kim, YK Jo, S Bera, N-S Lee, WI Lee, H Kim*, S-J Hwang*
Advanced Materials Interfaces, 3 (20), 1600661

86. 2D Covalent Metals: A New Materials Domain of Electrochemical CO2 Conversion with Broken Scaling Relationship
H Shin, Y Ha, H Kim*
Journal of Physical Chemistry Letters, 7, 4124-4129

85. A Seamless Grid-based Interface for Mean-field QM/MM Coupled with Efficient Solvation Free Energy Calculations
H-K Lim+H Lee+, H Kim*
+equal contribution
Journal of Chemical Theory and Computation, 12 (10), 5088-5099

84. Solubility Prediction of Organic Ionic Compounds with Computational Methods for Photoresist Application
E-H Ryu*, M-Y Kim, Y-J Yoon, K-H Im, H-M Jeong, H Jeon, H Lee, H Kim*
Journal of Photopolymer Science and Technology, 29 (5), 731-736

83. Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction
WJ Kim+M Kim+, EK Lee*, S Lebègue*, H Kim*
+equal contribution
Journal of Physical Chemistry Letters, 7 (16), 3278-3283

82. Intracavity Conformational Changes in Clathrate Hydrates
Y-H Ahn, H-K Lim, H Kang, H Kim, M Cha, K Shin*, H Lee*
Journal of Physical Chemistry C, 120 (31), 17190-17195

81. Probing Distinct Fullerene Formation Processes from Carbon Precursors of Different Sizes and Structures
JY Han, TS Choi, S Kim, JW Lee, Y Ha, KS Jeong, H Kim, HC Choi, HI Kim*
Analytical Chemistry, 88 (16), 8232-8238

80. Highly Efficient, Selective, and Stable CO2 Electroreduction on a Hexagonal Zn Catalyst
DH Won, H Shin, J Koh, J Chung, HS Lee, H Kim*, SI Woo*
Angewandte Chemie, 55, 9297-9300

79. A Conductive Hybridization Matrix of RuO2 Two-Dimensional Nanosheets: A Hybrid-Type Photocatalyst
JM Lee, EK Mok, S Lee, N-S Lee, L Debbichi, H Kim*, S-J Hwang*
Angewandte Chemie, 55, 8546-8550

78. First-principles investigation of two-dimensional trichalcogenide and sesquichalcogenide monolayers
L Debbichi*, H Kim, T Björkman, O Eriksson, S Lebègue*
Physical Review B, 93, 245307

77. Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction
K-S Kim, WJ Kim, H-K Lim, EK Lee*, H Kim*
ACS Catalysis, 6, 4443-4448

76. Control of the mechanical strength of a bipyridine-based polymeric gel from linear nanofibre to helix with a chiral dopant
H Choi, J Ahn, S Kim, H Kim*, JH Jung*
Chemical Communications, 52, 7600-7603

75. Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst
CH Choi, M Kim, HC Kwon, SJ Cho, S Yun, H-T Kim, KJJ Mayrhofer, H Kim*, M Choi*
Nature Communications, 7, 10922

74. First-Principles Study of the α-β Phase Transition of Ferroelectric Poly(vinylidene difluoride): Observation of Multiple Transition Pathways
WJ Kim, MH Han, Y-H Shin, H Kim, EK Lee*
Journal of Physical Chemistry B, 120 (12), 3240-3249

73. A mechanistic model for hydrogen activation, spillover, and its chemical reaction in a zeolite-encapsulated Pt catalyst
H Shin, M Choi, H Kim*
Physical Chemistry Chemical Physics, 18, 7035-7041
-highlighted as an inside front cover

72. Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids
M Kim+WJ Kim+EK Lee*, S Lebègue*, H Kim*
+equal contribution
International Journal of Quantum Chemistry (invited review), 116 (8), 598-607
-highlighted as a front cover

71. Effect of NaBH4 on properties of nanoscale zero-valent iron and its catalytic activity for reduction of p-nitrophenol
S Bae, S Gim, H Kim, K Hanna*
Applied Catalysis B: Environmental, 182, 541-549

70. Effect of electrolytes and soil minerals on nitrous oxide (N2O) hydrate formation kinetics
D Kyung, T Park, H-K Lim, H Kim, W Lee*
International Journal of Greenhouse Gas Control, 45, 34-42

69. Graphene Quantum Sheet Catalyzed Silicon Photocathode for Selective CO2 Conversion to CO
KD Yang, Y Ha, U Sim, J An, CW Lee, K Jin, Y Kim, J Park, JS Hong, JH Lee, H-E Lee, H-Y Jeong, H Kim*, KT Nam*
Advanced Functional Materials, 26 (2), 233-242


68. An lcy-topology amino acid MOF as eco-friendly catalyst for cyclic carbonate synthesis from CO2: Structure-DFT corroborated study
AC Kathalikkattil, R Babu, RK Roshan, H Lee, H Kim, J Tharun, E Suresh*, D-W Park*
Journal of Materials Chemistry A, 3, 22636-22647

67. Achieving Selective and Efficient Electrocatalytic Activity for CO2 Reduction Using Immobilized Silver Nanoparticles
C Kim, HS Jeon, T Eom, MS Jee, H Kim, CM Friend, BK Min*, YJ Hwang*
Journal of the American Chemical Society 137 (43), 13844-13850

66. Magnetotactic Molecular Architectures from Self-Assembly of β-Peptide Foldamers
S Kwon, BJ Kim, H-K Lim, K Kang, SH Yoo, J Gong, E Yoon, J Lee, IS Choi, H Kim*, HS Lee*
Nature Communications 6, 8747

65. Janus Pt surfaces derivatized with zwitterionic molecules for oxygen reduction reactions in alkaline and acid electrolytes
N Jung+, H Shin+, M Kim, I Jang, H-J Kim, JH Jang, H Kim*, SJ Yoo*
+equal contribution
Nano Energy 17, 152-159

64. Ion Exchange of Organic Ionic Compounds in Photoresist
E-H Ryu*, C-Y Hong, MK Jang, M-Y Kim, DY Kim, JY Ahn, H-Jin Lim, H Jeon, M Clark, J Thackeray, H Lee, H Kim
Journal of Photopolymer Science and Technology 28 (5), 695-700

63. Chirality control of self-assembled achiral nanofibers using amines in their solid state
SH Jung, J Jeon, H Kim*, J Jaworski*, JH Jung*
Nanoscale 7, 15238-15244

62. Phase Tuning of Nanostructured Gallium Oxide via Hybridization with Reduced Graphene Oxide for Superior Anode Performance in Li-Ion Battery: An Experimental and Theoretical Study
SB Patil, IY Kim, JL Gunjakar, SM Oh, T Eom, H Kim, S-J Hwang*
ACS Applied Materieals & Interfaces 7 (33), 18679–18688

61. Hybrid structures of organic dye and graphene for ultrahigh gain photodetectors
Y Lee, SH Yu, J Jeon, H Kim, JY Lee, H Kim, JH Ahn*, E Hwang*, JH Cho*
Carbon 88, 165-172

60. Revisiting hydrogen spillover in Pt/LTA: Effects of physical diluents having different acid site distributions
S Lee, K Lee, J Im, H Kim, M Choi*
Journal of Catalysis 325, 26-34

59. Theoretical and Experimental Studies of the Dechlorination Mechanism of Carbon Tetrachloride on a Vivianite Ferrous Phosphate Surface
KH Jeon, N Lee, S Bae, WA Goddard III, H Kim*, W Lee*
Journal of Physical Chemistry A 119 (22), 5714-5722

58. Understanding Interface between Electrode and Electrolyte: Organic/Inorganic Hybrid Design for Fast Ion Conductivity
DY Chung, YH Chung, S Kim, JW Lim, KJ Lee, N Jung, H Shin, OH Kim, H Kim, SJ Yoo*, YE Sung*
Journal of Physical Chemistry C 119 (17), 9169-9176

57. Hydrogen Spillover in Encapsulated Metal Catalysts: New Opportunities for Designing Advanced Hydroprocessing Catalysts
M Choi*, S Yook, H Kim
ChemCatChem 7 (7), 1048-1057

56. Foldecture as a Core Material with Anisotropic Surface Characteristics
SH Yoo, T Eom, S Kwon, J Gong, J Kim, SJ Cho, RW Driver, Y Lee, H Kim*, HS Lee*
Journal of the American Chemical Society 137 (6), 2159-2162

55. Unexpected Carbon Dioxide Inclusion in Water‐Saturated Pores of Metal–Organic Frameworks with Potential for Highly Selective Capture of CO2
D Kim, H-K Lim, H Ro, H Kim*, H Lee*
Chemistry-A European Journal 21 (3), 1125-1129

54. CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite–Water Interface
D Kyung, H-K Lim, H Kim, W Lee*
Environmental Science & Technology 49 (2), 1197-1205

53. First-Principles Study of Iron Oxide Polytypes: Comparison of GGA+ U and Hybrid Functional Method
T Eom, H-K Lim, WA Goddard III, H Kim*
Journal of Physical Chemistry C 119 (1), 556-562


52. Hydrogen Peroxide Synthesis via Enhanced Two-Electron Oxygen Reduction Pathway on Carbon-Coated Pt Surface
CH Choi, HC Kwon, S Yook, H Shin, H Kim, M Choi*
Journal of Physical Chemistry C 118 (51), 30063-30070

51. Rapid Dye Regeneration Mechanism of Dye-Sensitized Solar Cells
J Jeon, YC Park, SS Han, WA Goddard III*, YS Lee, H Kim*
Journal of Physical Chemistry Letters 5 (24), 4285-4290

50. Nitrite Reduction Mechanism on a Pd Surface
H Shin+, S Jung+, S Bae, W Lee*, H Kim*
+equal contribution
Environmental Science & Technology 48 (21), 12768-12774

49. Selective Dissociation of Dihydrogen over Dioxygen on a Hindered Platinum Surface for the Direct Synthesis of Hydrogen Peroxide
S Yook+, H Shin+, H Kim*, M Choi*
+equal contribution
ChemCatChem 6 (10), 2836-2842

48. Embedding covalency into metal catalysts for efficient electrochemical conversion of CO2
H-K Lim+, H Shin+, WA Goddard III, YJ Hwang, BK Min, H Kim*
+equal contribution
Journal of the American Chemical Society 136 (32), 11355-11361

47. Dye-Sensitized MoS2 Photodetector with Enhanced Spectral Photoresponse
SH Yu, Y Lee, SK Jang, J Kang, J Jeon, C Lee, JY Lee, H Kim, E Hwang, S Lee*, JH Cho*
ACS Nano 8 (8), 8285-8291

46. Long-Range Electron Transfer over Graphene-Based Catalyst for High-Performing Oxygen Reduction Reactions: Importance of Size, N-doping, and Metallic Impurities
CH Choi+, H-K Lim+, MW Chung, JC Park, H Shin, H Kim*, SI Woo*
+equal contribution
Journal of the American Chemical Society 136 (25), 9070-9077

45. Growth Mechanism and Electronic Structure of Zn3P2 on the Ga-Rich GaAs (001) Surface
S Jeon, JP Bosco, SS Wilson, SJ Rozeveld, H Kim, HA Atwater*
Journal of Physical Chemistry C 118 (24), 12717-12726

44. First-Principles Design of Hydrogen Dissociation Catalysts Based on Isoelectronic Metal Solid Solutions
DH Seo, H Shin, K Kang, H Kim*, SS Han*
Journal of Physical Chemistry Letters 5 (11), 1819-1824

43. Intercalation of Gas Molecules in Graphene Oxide Interlayer: The Role of Water
D Kim, DW Kim, H-K Lim, J Jeon, H Kim, HT Jung*, H Lee*
Journal of Physical Chemistry C 118 (20), 11142-11148

42. Chiral Arrangement of Achiral Au Nanoparticles by Supramolecular Assembly of Helical Nanofiber Templates
SH Jung, J Jeon, H Kim*, J Jaworski*, JH Jung*
Journal of the American Chemical Society 136 (17), 6446-6452

41. Strain rate and adhesive energy dependent viscoplastic damage modeling for nanoparticulate composites: Molecular dynamics and micromechanical simulations
BJ Yang, H Shin, H Kim, HK Lee*
Applied Physics Letters 104 (10), 101901

40. Maximizing the catalytic function of hydrogen spillover in platinum-encapsulated aluminosilicates with controlled nanostructures
J Im+, H Shin+, H Jang, H Kim, M Choi*
+equal contribution
Nature Communications 5, 3370

39. Effect of marine environmental factors on the phase equilibrium of CO2 hydrate
D Kyung, K Lee, H Kim, W Lee*
International Journal of Greenhouse Gas Control 20, 285-292

38. Tuning Cage Dimension in Clathrate Hydrates for Hydrogen Multiple Occupancy
DY Koh, H Kang, J Jeon, YH Ahn, Y Park, H Kim*, H Lee*
Journal of Physical Chemistry C 118 (6), 3324-3330
-highlighted as a front cover

37. Reversibly tunable helix inversion in supramolecular gels trigged by Co2+
SH Park, SH Jung, J Ahn, JH Lee, KY Kwon, J Jeon, H Kim*, J Jaworski*, JH Jung*
Chemical Communications 50 (88), 13495-13498

36. Inhibited phase behavior of gas hydrates in graphene oxide: influences of surface and geometric constraints
D Kim, DW Kim, H-K Lim, J Jeon, H Kim, HT Jung*, H Lee*
Physical Chemistry Chemical Physics 16 (41), 22717-22722

35. Reply to the ‘Comment on “Volume shrinkage of a metal–organic framework host induced by the dispersive attraction of guest gas molecules”’by F.-X. Coudert, AH Fuchs, and AV Neimark, Phys. Chem. Chem. Phys.
J Joo, H Kim*, SS Han*
Physical Chemistry Chemical Physics 16 (9), 4396-4398


34. A combined molecular dynamics/micromechanics/finite element approach for multiscale constitutive modeling of nanocomposites with interface effects
BJ Yang, H Shin, HK Lee, H Kim*
Applied Physics Letters 103 (24), 241903

33. Strengthening effect of single-atomic-layer graphene in metal–graphene nanolayered composites
Y Kim, J Lee, MS Yeom, JW Shin, H Kim, Y Cui, JW Kysar, J Hone, Y Jung*, S Jeon*, SM Han*
Nature Communications 4, 2114

32. Toward a Lithium–“Air” Battery: The Effect of CO2 on the Chemistry of a Lithium–Oxygen Cell
H-K Lim+, HD Lim+, KY Park, DH Seo, H Gwon, J Hong, WA Goddard III, H Kim*, K Kang*
+equal contribution
Journal of the American Chemical Society 135 (26), 9733-9742

31. Graphene field effect transistor without an energy gap
MS Jang+, H Kim+, YW Son, HA Atwater*, WA Goddard*
+equal contribution
Proceedings of the National Academy of Sciences 110 (22), 8786-8789

30. Inner-Sphere Electron-Transfer Single Iodide Mechanism for Dye Regeneration in Dye-Sensitized Solar Cells
J Jeon, WA Goddard III*, H Kim*
Journal of the American Chemical Society 135 (7), 2431-2434

29. Scaled Effective Solvent Method for Predicting the Equilibrium Ensemble of Structures with Analysis of Thermodynamic Properties of Amorphous Polyethylene Glycol–Water Mixtures
H Shin, TA Pascal, WA Goddard III*, H Kim*
Journal of Physical Chemistry B 117 (3), 916-927

28. Volume shrinkage of a metal–organic framework host induced by the dispersive attraction of guest gas molecules
J Joo, H Kim*, SS Han*
Physical Chemistry Chemical Physics 15 (43), 18822-18826
-highlighted as a back cover

27. Probing Conformational Changes of Ubiquitin by Host–Guest Chemistry Using Electrospray Ionization Mass Spectrometry
JW Lee, SW Heo, SJC Lee, JY Ko, H Kim, HI Kim*
Journal of The American Society for Mass Spectrometry 24 (1), 21-29


26. Study of Argon Gas Adsorption in Ordered Mesoporous MFI Zeolite Framework
HS Cho, K Miyasaka, H Kim, Y Kubota, M Takata, S Kitagawa, R Ryoo*, O Terasaki*
Journal of Physical Chemistry C 116 (48), 25300-25308

25. DFT Study of Water Adsorption and Decomposition on a Ga-Rich GaP(001)(2×4) Surface
S Jeon, H Kim, WA Goddard III*, HA Atwater*
Journal of Physical Chemistry C 116 (33), 17604-17612

24. Anisotropic shock sensitivity of cyclotrimethylene trinitramine (RDX) from compress-and-shear reactive dynamics
Q An, Y Liu*, SV Zybin, H Kim, WA Goddard III*
Journal of Physical Chemistry C 116 (18), 10198-10206

23. The Role of Confined Water in Ionic Liquid Electrolytes for Dye-Sensitized Solar Cells
J Jeon, H Kim*, WA Goddard III*, TA Pascal, GI Lee, JK Kang
Journal of Physical Chemistry Letters 3 (4), 556-559

22. Universal correction of density functional theory to include London dispersion (up to Lr, element 103)
H Kim+,*, JM Choi+, WA Goddard III*
+equal contribution
Journal of Physical Chemistry Letters 3 (3), 360-363

21. A microfluidic-based bubble generation platform enables analysis of physical property change in phospholipid surfactant layers by interfacial ozone reaction
YS Shin, TS Choi, H Kim, JL Beauchamp, JR Heath, HI Kim*
Lab on a Chip 12 (24), 5243-5248

20. Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections
I Campuzano*, MF Bush*, CV Robinson, C Beaumont, K Richardson, H Kim, HI Kim
Analytical Chemistry 84 (2), 1026-1033


19. Effect of shuttling catalyst on the migration of hydrogen adatoms: A strategy for the facile hydrogenation of graphene
SS Han*, H Kim, N Park*
Journal of Physical Chemistry C 115 (50), 24696-24701

18. Superexchange-Like Interaction of Encaged Molecular Oxygen in Nitrogen-Doped Water Cages of Clathrate Hydrates
K Shin, M Cha, W Lee, H Kim, Y Jung, J Dho, J Kim, H Lee*
Journal of the American Chemical Society 133 (50), 20399-20404

17. Host–Guest Chemistry in the Gas Phase: Complex Formation with 18-Crown-6 Enhances Helicity of Alanine-Based Peptides
JY Ko, SW Heo, JH Lee, HB Oh, H Kim*, HI Kim*
Journal of Physical Chemistry A 115 (49), 14215-14220

16. High-temperature high-pressure phases of lithium from electron force field (eFF) quantum electron dynamics simulations
H Kim, JT Su, WA Goddard III*
Proceedings of the National Academy of Sciences 108 (37), 15101-15105

15. Thermodynamics of d-dimensional hard sphere fluids confined to micropores
H Kim*, WA Goddard III, KH Han, C Kim, EK Lee, P Talkner, P Hänggi
Journal of Chemical Physics 134 (11), 114502

14. Negative Differential Resistance of Oligo (Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric-Field-Induced Conformational Change Mechanism
H Kim, SS Jang, RA Kiehl, WA Goddard III*
Journal of Physical Chemistry C 115 (9), 3722-3730

13. Electronic− Mechanical Coupling in Graphene from in situ Nanoindentation Experiments and Multiscale Atomistic Simulations
M Huang*, TA Pascal, H Kim, WA Goddard III, JR Greer
Nano Letters 11 (3), 1241-1246

12. Direct observation of atomic hydrogen generated from the water framework of clathrate hydrates
K Shin, M Cha, H Kim, Y Jung, YS Kang, H Lee*
Chemical Communications 47 (2), 674-676

11. The predicted crystal structure of Li4C6O6, an organic cathode material for Li-ion batteries, from first-principles multi-level computational methods
DH Seo+, H Kim+, H Kim, WA Goddard III*, K Kang*
+equal contribution
Energy & Environmental Science 4 (12), 4938-4941

10. Chemistries for patterning robust DNA microbarcodes enable multiplex assays of cytoplasm proteins from single cancer cells
YS Shin, H Ahmad, Q Shi, H Kim, TA Pascal, R Fan, WA Goddard III, JR Heath*
ChemPhysChem 11 (14), 3063-3069

9. Time dependent behavior of a localized electron at a heterojunction boundary of graphene
MS Jang+, H Kim+, HA Atwater*, WA Goddard III*
+equal contribution
Applied Physics Letters 97 (4), 043504

8. Time resolved studies of interfacial reactions of ozone with pulmonary phospholipid surfactants using field induced droplet ionization mass spectrometry
HI Kim+, H Kim+, YS Shin+, LW Beegle, WA Goddard, JR Heath, I Kanik, JL Beauchamp*
+equal contribution
Journal of Physical Chemistry B 114 (29), 9496-9503

7. Interfacial reactions of ozone with surfactant protein B in a model lung surfactant system
HI Kim, H Kim, YS Shin, LW Beegle, SS Jang, EL Neidholdt, WA Goddard, JR Heath, I Kanik, JL Beauchamp*
Journal of the American Chemical Society 132 (7), 2254-2263

6.Structural characterization of unsaturated phosphatidylcholines using traveling wave ion mobility spectrometry
HI Kim+.*, H Kim+, ES Pang, EK Ryu, LW Beegle, JA Loo, WA Goddard, I Kanik
+equal contribution
Analytical Chemistry 81 (20), 8289-8297

5. Free Energy Barrier for Molecular Motions in Bistable [2] Rotaxane Molecular Electronic Devices
H Kim, WA Goddard III*, SS Jang*, WR Dichtel, JR Heath, JF Stoddart
Journal of Physical Chemistry A 113 (10), 2136-2143

4. Sodium Diffusion through Aluminum-Doped Zeolite BEA System: Effect of Water Solvation
H Kim, WQ Deng, WA Goddard III*, SS Jang*, ME Davis, Y Yan
Journal of Physical Chemistry C 113 (3), 819-826

3. Wall-mediated self-diffusion in slit and cylindrical pores
H Kim*, C Kim, EK Lee, P Talkner, P Hänggi
Physical Review E 77 (3), 031202

2. Experimental and Theoretical Investigation into the Correlation between Mass and Ion Mobility for Choline and Other Ammonium Cations in N2
H Kim, HI Kim, PV Johnson, LW Beegle*, JL Beauchamp, WA Goddard, I Kanik
Analytical Chemistry 80 (6), 1928-1936

1. Dynamics of simple fluids confined in cylindrical pore: Effect of pore size
H Kim, CH Cho, EK Lee*
Journal of Theoretical and Computational Chemistry 4 (1), 305-315