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Mar. 2006 – Feb. 2012 Ph. D at Dept. Materials Science and Engineering, Hanyang University, Korea

Mar. 2001 – Feb. 2006 B. S.  at Dept. Ceramic Engineering, Hanyang University, Korea


Professional career

Sep. 2018 – Present           Group Leader at University of Cologne, Germany

July 2018 – Present            CEO (Founder) at Materials Data Corp, Korea

Aug.2021 – Present            CSO at MOP, Korea

Mar. 2016 – June 2018       CSO (Founder) at Virtual Lab Inc., Korea

Mar. 2012 – Feb. 2016        Postdoctoral Researcher at Korea Institute of Science & Technology (KIST)



Best One Thesis Award – Among 140 Ph. D. recipients from College of Engineering (Feb. 2012).

Best Ten Thesis of Hanyang University Graduate School – 10 among 1800 graduates (Feb. 2012).

Excellence of postdoctoral researchers – KIST (Dec. 2014)


Important Grants

DAAD Grant (MOPGA-GRI), (Sep.2018-Aug.2022), 1Million Euro

Research Council of Fundamental Science and Technology (KRCF) (May2012-Apr.2015), 150Million KRW



Thermodynamics of materials


Engineering mathematics

Computational materials science


Project funding acquisitions as a PI

Samsung Electronics network device quality control (Dec.2018-Mar.2019) – Samsung

Apple Inc’s Antenna Materials Processing (Oct.2017 – Sep.2018) - KITECH

Samsung Electromechanics capacitor lifetime prediction (May.2019-Oct.2019) – Samsung

Magnetic gas sensing (May 2012 – Dec. 2012) - KIST

Piezoelectric materials screening with computations (Apr. 2021-May2021) - KICET

Solid state electrolyte development for Li-ion battery (Oct.2021-Dec.2021) -KICET

Parderborn Center for Parallel Computing (PC2) (Oct. 2020-Sep.2021)

QM2 Grant implemented in University of Cologne (German excellence initiative by DFG)

SPARC Project (India-Germany) (2019-2021) – India Government

Li-ion battery electrode-anode interface chemistry (Oct.2021 – Apr.2022) – KICET


Advisorship to Technology Companies

Samsung Electronics

Belorusneft (Belarusian petroleum company)

MiCo Ceramics (Semiconductor manufacturing)

Inwoo Corporation (Catalyst manufacturing)

Virtual Lab Inc. (Materials simulation software maker)

Volmi Korea (Cosmetic materials manufacturing)


Academic activities

Guest editor of “Catalysts” by MDPI (Jan. 2020 – Present)

Main session organizer of international conferences

– MSE2020, MSE2022, MCARE2019

Research Topics

I. Electrodynamics into electrochemistry for advanced catalyst design

  • My original catalyst research with a novelty is done by implementation of electrodynamics into conventional catalysts design theory. This theory unification has made advances in the catalyst designs, with considerations of heterogeneity, dynamic condition, durability, and selectivity, which have not been well considered in the conventional computation-aided catalyst designs.
  • Experiments and computations are combined to accelerate the understanding and the developments of high-performance catalysts.

II. Machine Learning study for Li-ion battery electrode materials developments

  • Being funded by QM2 project (Internal program of University of Cologne), I am developing a new methodology to predict ionic conductivity only from electronic structure by making machine learn the relationship between the Li ion diffusion barrier and the electronic structures given by DFT calculations, which will be used for neutral network (NN) model training and predictions.

III. Corrosion-free catalyst design (electrochemistry + electromagnetism)

  • Using theory models and multi-scale simulations, I have solved industrial problems in semiconductor manufacturing line.
  • One of my strong research interests is prediction of device lifetime and performances based on mass transfer, heat transfer, and quantum mechanics.

IV. Semiconductor defects and photochemistry

  • Carrier transport and photochemistry of semiconductors with point defects
  • Theoretical predictions of defect equilibria predictions experimental verifications

Paper Publications

<Book chapter>

1. F. Ünlü, E. Jung, S. Öz, Heechae Choi, T. Fischer, S. Mathur, “Chemical Processing of Mixed-Cation Hybrid Perovskites: Stabilizing Effects of Configurational Entropy”, Perovskite Solar Cells: Materials, Processes, and Devices, 2021, p.1-p.31.


<Peer-reviewed journal publications>

+: Equally contributing 1st author

*: Corresponding author

2016-2022 (Independent)

  1. S. Kim+, S. Ji+, H. Yang, H. Son, Heechae Choi*, J. Kang, Oi L. Li*, “Near surface electric field enhancement: Pyridinic-N rich few-layer graphene encapsulating cobalt catalysts as highly active and stable bifunctional ORR/OER catalyst for seawater batteries”, Appl. Catal. B: Environ., 2022. Accepted.
  2. Y. Li, M. Je, J. Kim, C. Xia, S. H. Roh, H. Lee, D.-H. Kim, S. M. Cho, J. W. Bae, Heechae Choi*, J. K. Kim*, “Rational Nanopositioning of Homogeneous Amorphous Phase on Crystallin Metal Oxide for Boosting Solar Water Oxidation”, Chem. Eng. J. 2022, 438, 135532 (Cover Article).
  3. Y. Sim, H. Cha, S. Surendran, M. Je, H. Choi, S. Yoo, D. C. Seok, Y. H. Jung, C. Jeon, D. J. Kim, M.-K. Han, Heechae Choi*, U. Sim*, J. Moon*, “Fluorine-doped Graphene Oxide Prepared by Direct Plasma Treatment for Supercapacitor Applications” Chem. Eng. J., 2022, 428, 132086 (Cover Article).
  4. Heechae Choi, T. Kim, H. Park, “Defect Engineering of TiNb2O7 compound for enhanced Li-ion battery anode performances”, Electrochim. Acta, 2022, 404, 139603.
  5. A. K. Singh+, S. Ji+, B. Singh, C. Das, Heechae Choi*, P. W. Menezes*, A. Indra*, “Alkaline Oxygen Evolution:  Exploring Synergy between fcc and hcp Cobalt Nanoparticles Entrapped in N-doped Graphene”, Mater. Today Chem., 2022, 23, 100668.
  6. Heechae Choi, H. Han, S.-I. Moon, M. Je, S. Lee, J. Kwon, S. Kim, K.-R. Lee, G. Ali, S. Mathur, U. Paik, S.-Z. Qiao, T. Song, “Strategy to utilize amorphous phase of semiconductor towards excellent and reliable photochemical water splitting performance: Roles of interface dipole moment and reaction parallelization”, Int. J. Energy Res., 2022, 46, 3674.
  7. C. Xia+, S. Surendran+, S. Ji+, D. Kim, Y. Chae, J. Kim, M. Je, M.-K. Han, W.-S. Choe, C. H. Choi*, Heechae Choi*, J. K. Kim*, U. Sim*, Carbon Energy, 2022, Accepted.
  8. S. Khan, M. Je, N. N. Thanh Ton, W. Lei, T. Taniike, S. Yanagida, D. Ogawa, N. Suzuki, C. Terashima, A. Fujishima, Heechae Choi*, K. Katsumata*, “C-doped ZnS-ZnO/Rh Nanosheets as Multijunctioned Photocatalysts for Effective H2 Generation from Pure Water under Solar Simulating Light” Appl. Catal. B: Environ., 2021, 297, 120473.
  9. L. Pasqualini, M. Je, H. Huppertz, Heechae Choi, J. Bruns, “Triple Vertex Linkage of (BO4)-Tetrahedra in a Borosulfate: Synthesis, Crystal Structure, and Quantum Chemical Investigation of Sr[B3O(SO4)4(SO4H)]” Angew. Chem., 2021, 60, 1 (Cover Article).
  10. M. Kim+, J. Lee+, M. Je+, B. Heo, H. Yoo, Heechae Choi*, J. Choi*, K. Lee*, “Electric Field-driven One-step Formation of Vertical p-n Junction TiO2 Nanotube Having Strong Photocatalytic Hydrogen Production” J. Mater. Chem. A 2021, 9, 2239-2247.
  11. K. Chen+, S. Kim, M. Je+, Heechae Choi*, Z. Shi, N. Vladimir, K. H. Kim*, O. L. Li*, “Ultrasonic-Plasma Engineering toward Facile Synthesis of Single-Atom M-N4/N-doped carbon (M=Fe, Co) as Superior Oxygen Electrocatalyst in Rechargeable Zinc-Air Batteries”, Nano-Micro Letters, 2021, 13, 1-20.
  12. S. Kim, S. Ji, K. H. Kim, S. H. Roh, Y. Cho, C.-L. Lee, K.-S. Lee, D.-G. Choi, Heechae Choi*, J. K. Kim*, J. H. Park*, “Revisiting surface chemistry in TiO2: a critical role of ionic passivation for pH-independent and anti-corrosive photoelectrochemical water oxidation” Chem. Eng. J. 2021, 407, 126929.
  13. H. Nam, E. S. Sim, M. Je, Heechae Choi*, Y.-C. Chung*, “Theoretical Approach Toward Optimum Anion-doping on MXene Catalyst for Hydrogen Evolution Reaction: An Ab initio Thermodynamics Study” ACS Appl. Mater. Interfaces 2021, 13, 37035.
  14. J. Chang, T.-J. Ko, M. Je, H.-S. Chung, S. S. Han, M. S. Shawkat, M. Wang, S. J. Park, S. M. Yu, T.-S. Bae, M.-W. Moon, K. H. Oh, Heechae Choi, Y. Yang, Y. Jung, “Layer Orientation-Engineered Two-Dimensional Platinum Ditelluride for High-Performance Direct Alcohol Fuel Cells” ACS Energy Lett., 2021, 6, 3481-3487.
  15. S. Khan+, Heechae Choi+ (Co-first author), S. Kim, S.-H. Cho, “Self-assembled Heterojunction of Metal Sulfides for Improved Photocatalysis” Chem. Eng. J. 2020, 395, 125092.
  16. B. Park+, M. Je+, J. Oh*, Heechae Choi*, S.Y. Lee*, “Rationally designed CuSb1-xBixS2 as a promising photovoltaic material: theoretical and experimental study” Scr. Mater. 2020, 179, 107-112.
  17. S. Khan, D. Kim, M. Je, S. Lee, S.-H. Cho*, T. Song*, Heechae Choi*, “Mapping Point Defects of Brookite TiO2 for Photocatalytic Activity Beyond Anatase Phase and P25”, J. Phys. Chem. C 2020, 124, 10376-10384.
  18. J. Woo, M. Je, Heechae Choi*, Y.-C. Chung, “Theoretical dopant screening and processing optimization for vanadium disulfide as cathode material for Li-air batteries: a density functional theory study”, Appl. Surf. Sci. 2020, 508, 145276.
  19. M. Je, E. S. Sim, J. Woo, Heechae Choi*, Y.-C. Chung*, “Manipulatable interface electric field and charge transfer in 2D/2D heterojunction photocatalyst via oxygen intercalation”, Catalysts 2020, 10, 469.
  20. T. Ludwig, M. Je, Heechae Choi, T. Fischer, S. Roitsch, R. Müller, R. S. Mane, K. H. Kim, S. Mathur, “Boosting nitrogen-doping and interlayer spacing in pre-reduced graphene oxide”, Nano Energy, 2020, 78, 105286.
  21. S. Dutta, H. Han, M. Je, Heechae Choi, J. Kwon, K. Park, A. Indra, K. M. Kim, U. Paik, T. Song, “Chemical and structural engineering of transition metal boride towards excellent and sustainable hydrogen evolution reaction” Nano Energy, 2020, 67, 104245.
  22. S. Kang, K. H. Jung, S. Mhin, Y. Son, K. Lee, W. R. Kim, Heechae Choi, J. H. Ryu, H. Han, K. M. Kim, “Fundamental Understanding of the Formation Mechanism for Graphene Quantum Dots Fabricated by Pulsed Laser Fragmentation in Liquid: Experimental and Theoretical Insight” Small, 2020, 16, 2003538.
  23. H. Han, A.K. Nayak, Heechae Choi, G. Ali, J. Kwon, S. G. Choi, U. Paik, T. Song, “Partial Dehydration in Hydrated Tungsten Oxide Nanoplates Leads to Excellent and Robust Bifunctional Oxygen Reduction and Hydrogen Evolution Reactions in Acidic Media” ACS Sustainable Chem. Eng. 2020, 8, 9507.
  24. F. Ünlü, E. Jung, J. Haddad, A. Kulkarni, S. Oez, Heechae Choi, T. Fischer, S. Chakraborty, T. Kirchartz, S. Mathur, “Understanding the interplay of stability and efficiency in A-site engineered lead halide perovskites”, APL Mater. 2020, 8, 070901.
  25. Y. K. Kshetri, T. Kamiyama, S. Torii, S. H. Jeong, T.-H. Kim, Heechae Choi, J. Zhou, Y. P. Feng, S. W. Lee, “Electronic structure, thermodynamic stability and high-temperature sensing properties of Er-α-SiAlON ceramics”, Sci. Rep. 2020, 10, 4952.
  26. O. L. Li, N. N. T. Pham, J. Kim, Heechae Choi, D. Lee, Y. Yang, W. Yao, Y.-R. Cho, S.G. Lee, “Insights on boosting oxygen evolution reaction performance via boron incorporation into nitrogen-doped carbon electrocatalysts” Appl. Surf. Sci. 2020, 528, 146979.
  27. S.-M. Yang, D.-S. Kim, Heechae Choi, K.-H. Kim, N.-M. Hwang, “Shape change of submicron nickel particles under hydrogen and nickel chloride vapor” Appl. Surf. Sci. 2020, 509, 145274.
  28. Woo Chul Ko, Kang Min Kim, Yong Jung Kwon, Heechae Choi, Jin Kuen Park, Young Kyu Jeong, “ALD-assisted synthesis of V2O5 nanoislands on SnO2 nanowires for improving NO2 sensing performance”, Appl. Surf. Sci. 2020, 509, 144821.
  29. D.-H. Lim, M. Kang, S.-Y. Jang, K. Hwang, I.-B. Kim, E. J., Y.-R. Jo, Y.-J. Kim, J. Kim, Heechae Choi, T.-W. Kim, S. Mathur, B.-J. Kim, D.-Y. Kim, ACS Appl. Mater. Interfaces, 2020, 12, 25066-25074.
  30. H. Han+, Heechae Choi+(+: Co-first author), S. Mhin, Y.-R. Hong, K. M. Kim, J. Kwon, G. Ali, K. Y. Chung, M. Je, K. Davey, S. Qiao, U. Paik, T. Song, “Advantageous Crystalline-Amorphous Phase Boundary for Enhanced Electrochemical Water Oxidation” Energy Environ. Sci. 2019, 12, 2443-2454 (Back Cover Article).
  31. Heechae Choi, Y. Kwon, H. Kim, Y. Jeong, “p-Type Conductivity in Hydrated Amorphous V2O5 and its Enhanced Photocatalytic Performance in ZnO/V2O5/rGO” ACS Appl. Electr. Mater. 2019, 1, 1881-1889 (Front Cover).
  32. H. Han, J. Woo, Y.-R. Hong, S. Mhin, K. M. Kim, J. Kwon, Heechae Choi*, Y.-C. Chung*, T. Song*, “Electronically Double‐Layered Metal Boride Hollow Nanoprism as an Excellent and Robust Water Oxidation Electrocatalysts” Adv. Energy Mater. 2019, 1803799 (Front Cover).
  33. Y. J. Kwon, H. W. Kim, W. C. Ko, Heechae Choi, Y.-H. Ko, and Y. K. Jeong, “Laser-engineered oxygen vacancies for improving the NO2 sensing performance of SnO2 nanowires” J. Mater. Chem. A, 2019, In press.
  34. J.-H. Hwang, M. A. Islam,  Heechae Choi, T. J. Ko, K. L. Rodriguez, H.-S. Chung, Y. Jung, W. H. Lee, “Improving Electrochemical Pb2+ Detection Using a Vertically Aligned 2D MoS2 NanofilmAnal. Chem. 2019, 91, 11770-11777 (Cover Article).
  35. Y.-R. Hong, S. Mhin, K. M. Kim, W.-S. Han, Heechae Choi, G. Ali, K. Y. Chung, H. J. Lee, S.-I Moon, S. Dutta, S. Sun, Y.-G. Jung, T. Song, H. Han, “Electrochemically activated cobalt nickel sulfide for an efficient oxygen evolution reaction: partial amorphization and phase control”, J. Mater. Chem. A, 2019, 7, 3592-3602 (Inside Cover Article)
  36. M. Choi, Heechae Choi, Y.-T. Kim, J. Ahn, “Material Design for Ge2Sb2Te5 Phase-change Material with Thermal Stability and Lattice Distortion” Scr. Mater. 2019, 170, 16-19.
  37. M. Choi, Heechae Choi, J. Ahn, and Y. T. Kim, “Interface-Driven Phase Transition of Phase-Change Material” Cryst. Growth. Des. 2019, 19. 2123-2130 (Front Cover).
  38. M. Wang, J. H. Kim, S. S. Han, M. Je, J. Gil, C. Noh, T.-J. Ko, K. S. Lee, D. I. Son. T.-S. Bae, H. I. Ryu, K. H. Oh, Y. J. Jung, Heechae Choi, H.-S. Chung, Y. Jung, “Structural Evolutions of Vertically Aligned Two-Dimensional MoS2 Layers Revealed by in Situ Heating Transmission Electron Microscopy” J. Phys. Chem. C, 2019, 123, 27843-27853.
  39. R. C. Pawar, S. Kang, H. Han, Heechae Choi, C. S. Lee, “In situ reduction and exfoliation of g-C3N4 nanosheets with copious active sites via a thermal approach for effective water splitting” Catal. Sci. Technol. 2019, 9, 1004.
  40. J. Leduc, Y. Goenuellue, P. Ghamgosar, S. You, J. Mouzon, Heechae Choi, A. Vomiero, M. Grosch, and S. Mathur, “Electronically-Coupled Phase Boundaries in α‑Fe2O3/Fe3O4 Nanocomposite Photoanodes for Enhanced Water Oxidation”, ACS Appl. Nano Mater. 2019, 2, 334-342.
  41. H. Han, K.M. Kim, Heechae Choi*, et al., “Parallelized Reaction Pathway and Stronger Internal Band Bending by Partial Oxidation of Metal Sulfide–Graphene Composites: Important Factors of Synergistic Oxygen Evolution Reaction Enhancement”, ACS Catal. 2018, 8, 4091 (Cover Article).
  42. H. Park, J. Kwon, Heechae Choi, D. Shin, T. Song, “Unusual Na+ Ion Intercalation/Deintercalation in Metal-Rich Cu1.8S for Na-Ion Batteries”, ACS Nano 2018, 12, 2827.
  43. Heechae Choi, Seong-I Moon, Taeseup Song, Seungchul Kim,”Hydrogen-free defects in hydrogenated black TiO2Phys. Chem. Chem. Phys. 2018, 20, 19871.
  44. Heechae Choi, S. Khan, J. Choi, D. T. T. Dinh, S. Y. Lee, U. Paik, S. H. Cho, S. Kim, “Synergetic control of band gap and structural transformation for optimizing TiO2 photocatalysts”App. Catal. B: Environ., 2017,210, 513.
  45. S. Khan, H. Cho, D. Kim, S. S. Han, K. H. Lee, S. H. Cho, T. Song, Heechae Choi*, “Defect engineering toward strong photocatalysis of Nb-doped anatase TiO2: Computational predictions and experimental verifications”, Appl. Catal. B: Environ. 2017,206, 520.
  46. H. Park, Heechae Choi, T. Song, and U. Paik, “Microstructural control of new intercalation layered titanoniobates with large and reversible d-spacing for easy Na+ ion uptake” Science Advances, 2017, 3, e1700509.
  47. Y.-W. Lee, B.-S. Kim, J. Hong, Heechae Choi, H.-S. Jang, B. Hou, S. Pak, J. Lee, S.-H. Lee, S. M. Morris, D. Whang, J.-P. Hong, “Hierarchically assembled tubular shell-core-shell heterostructure of hybrid transition metal chalcogenides for high-performance supercapacitors with ultrahigh cyclability” Nano Energy 2017, 37, 15.
  48. D. Kim, B. C. Yeo, D. Shin, Heechae Choi, S. Kim, N. Park, S. S. Han, “Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis” Phys. Rev. B, 2017,95, 045209.
  49. S. Khan+, Heechae Choi+(+: Co-first author), S. Y. Lee, O. M. Ntwaeaborwa, S. Kim, and S.-H. Cho, “Unexpected roles of interstitially doped lithium in blue and green light emitting Y2O3:Bi3+: Combined experimental and computational study”, Inorg. Chem. 2017, 56, 12139-12147
  50. M. Choi+, Heechae Choi+(+: Co-first author), K.-R. Lee, S. Kim, Y. T. Kim, J. Ahn, “Effects of Y dopant on lattice distortion and electrical properties of In3SbTe2 phase-change material”, Phys. Status Solidi Rapid Res. Lett. 2017, 11, 1700275. (Front Cover)
  51. H. Cho, H. Son, D. Kim, M. Lee, S. B., H. Han, K. M. Kim, S. Kim, Heechae Choi*, T. Song*, K. H. Lee*, “Impact of Mg-doping site control in the performance of Li4Ti5O12 Li-ion battery anode: First-principles predictions and experimental verifications”J. Phys. Chem. C, 2017,121, 144207.
  52. H. Han, K. M. Kim, C.-W. Lee, Caroline S. Lee, R. Pawar, J. L. Jones, Y.-R. Hong, J.-H. Ryu, T. Song, S.H. Kang, Heechae Choi, and S. Mhin, Phys. Chem. Chem. Phys. 2017, 19, 28207-28215.
  53. Heechae Choi, D. Shin, B. C. Yeo, T. Song, S. S. Han, N. Park, S. Kim, “Simultaneously controllable doping sites and the activity of a W-N codoped TiO2 photocatalyst”, ACS Catal., 2016,6, 2745.
  54. J. Son, M. Choi, Heechae Choi, et al. “Structural evolution of graphene in air at the electrical breakdown limit” Carbon, 2016, 99, 466.


2008-2015 (Postdoc, PhD)

  1. Heechae Choi, Jin Dong Song, Kwang-Ryeol Lee, and Seungchul Kim, “Correlated Visible-Light Absorption and Intrinsic Magnetism of SrTiO3 Due to Oxygen Deficiency: Bulk or Surface Effect?” Inorg. Chem., 2015, 54, 3759.
  2. Minho Choi, Heechae Choi, Seungchul Kim, Jinho Ahn, and Yong Tae Kim et al. “Lattice Distortions of Bi-doped In3SbTe2” Sci. Rep., 2015, 5, 12867.
  3. Minyeong Je, Heechae Choi, Yubin Hwang, Kyung-Han Yun, and Yong-Chae Chung, “Surface structure effect on the magnetic anisotropy of Co/Pd(001) thin film: A first principles study”, Thin Solid Films, 2015, 589, 252.
  4. Heechae Choi, So-Hye Cho, Sovann Khan, Kwang-Ryeol Lee, and Seungchul Kim, “Roles of an oxygen Frenkel pair in the photoluminescence of Bi3+ -doped Y2O3: computational predictions and experimental verifications” J. Mater. Chem. C, 2014, 2, 5017. (Back Cover Article)
  5. Heechae Choi, Minho Lee, Seungchul Kim, Kwang-Ryeol Lee, and Yong-Chae Chung, “Detecting gas molecules via magnetization” Dalton Trans., 2014, 43, 13070.
  6. Heechae Choi, “Magnetic Properties of Strained L10-orderd FePt and CoPt” Appl. Sci. Convergence Technol., 2014,5, 273.
  7. T. Song, Heechae Choi, et al. “TiO2 Nanotubes Branched on Carbon Nanofiber Nanostructure as an Anode for High Energy and Power Lithium Ion Batteries” Nano Research, 2014,7, 1.
  8. M. Choi, J. Son, Heechae Choi, et al. “In-situ Raman spectroscopy of current-carrying graphene microbridge” J. Raman. Spectrosc. 2014,45, 168.
  9. Sangho Lee, Minho Lee, Heechae Choi, Dong Su Yoo, and Yong-Chae chung “Effect of nitrogen induced defects in Li dispersed graphene on hydrogen storage”, Intl. J. Hydrogen Energy, 2013, 38, 4611.
  10. Minho Lee, Heechae Choi, and Yong-Chae chung “Ferroelectric control of magnetic anisotropy of FePt/BaTiO3 magnetoelectric heterojunction: A density functional theory study”, J. Appl. Phys., 2013, 113, 17C729.
  11. Heechae Choi, Eung-Kwan Lee, Sung Beom Cho, and Yong-Chae Chung, “Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study, J. Appl. Phys., 2012, 111, 07C306.
  12. Heechae Choi, Minho Lee, Dong Su Yoo, and Yong-Chae Chung, “First-principles study on the atomic and electronic structures of graphene-protected magnetic Fe/Ni(111) thin film”, Curr. Appl. Phys. 2012, 12, S37.
  13. Yubin Hwang, Eung-Kwan Lee, Heechae Choi, Kyung-Han Yun, Minho Lee, Yong-Chae Chung, “Atomic Behavior of Carbon Atoms on a Si Removed 3C-SiC (111) Surface During the Early Stage of Epitaxial Graphene Growth”, J. Appl. Phys.,2012,111, 104324.
  14. Sangho Lee, Heechae Choi, and Yong-Chae Chung, "Effects of biaxial strains on the magnetic properties of Co-graphene heterojunctions" J. Appl. Phys., 2012, 111, 113922.
  15. Minho Lee, Heechae Choi, Dong Su Yoo, and Yong-Chae Chung, “Magnetic Properties of Iron on Strained Graphene: Density Functional Theory Study”, Jpn. J. Appl. Phys., 2012, 51, 06FD13.
  16. Taeseup Song, Huanyu Cheng, Heechae Choi, Hyungkyu Han, Dong Hyun Lee, MoonSeok Kwon, Jae-Man Choi, Seok Gwang Doo, Hyuk Chang, Jianliang Xiao, Yonggang Huang, Won Il Park, Dong Su Yoo, Yong-Chae Chung, Hansu Kim, John A. Rogers and Ungyu Paik, “Si/Ge Double-Layered Nanotube Array as a Lithium Ion Battery Anode” ACS Nano, 2012, 6, 303.
  17. Heechae Choi, Eung-Kwan Lee, Sung Beom Cho, and Yong-Chae Chung, “Interface-dependent spin-reorientation energy barrier in Fe/MgO(001) Thin Film”, IEEE Electron Device Lett., 2011, 32, 1287.
  18. Heechae Choi, Yubin Hwang, Eung-Kwan Lee, and Yong-Chae Chung, “Interface Dependent Magnetic Anisotropy of Fe/BaTiO3: First-principles Study”, J. Appl. Phys. 2011, 109, 07D909.
  19. Heechae Choi, Geunsup Yoon, and Yong-Chae Chung, “Atomic-scale Investigation on the Ti/Fe(001) Interface Structure: Molecular Dynamics Simulations and Ab Initio Calculations”, Jpn. J. Appl. Phys., 2011, 50, 01BE07.
  20. Heechae Choi, Geunsup, Yoon, and Yong-Chae Chung, “Electronic structures and magnetism of Al/Fe(001) thin-film systems: First-principles calculations”, Jpn. J. Appl. Phys., 2011, 50, 01BF03.
  21. Heechae Choi and Yong-Chae Chung, “Magnetic Anisotropy Variation of Fe Single Atom on Ti/Al(001) Surface by the Change of Ti-Al Surface Phase”, J. Nanosci. Nanotech., 2011, 11, 6364.
  22. Heechae Choi, Eung-Kwan Lee, Yubin Hwang, and Yong-Chae Chung, “Surface diffusion coefficient determination by uniaxial tensile stress in Pb/Cu(111) surface systems”, Curr. Appl. Phys. 2011, 11, S400.
  23. Eung-Kwan Lee, Heechae Choi, Yubin Hwang, and Yong-Chae Chung, “Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study”, J. Appl. Phys. 2011, 109, 07B764.
  24. Eung-Kwan Lee, Heechae Choi, and Yong-Chae Chung, “Stress-Induced Wurtzite to Hexagonal Phase Transformation in Zinc Oxide Nanowires”, J. Nanosci. Nanotech., 2011, 11, 10595.
  25. Soon-Gun Lee, Heechae Choi, and Yong-Chae Chung, “Film growth chracterization of Fe and Cu on Cu(111) surface in the early stage of the deposition process: a molecular dynamics simulation”, Curr. Appl. Phys. 2011, 11, S65.
  26. Hayan Park, Heechae Choi, Hong-Lae Park, and Yong-Chae Chung, “Electron Accumulation in LaAlO3/SrTiO3 Interfaces by the Broken Symmetry of Crystal Field”, Jpn. J. Appl. Phys. 2011, 50, 10PF03.
  27. Kyung-Han Yun, Eung-Kwan Lee, Heechae Choi, and Yong-Chae Chung, “Atomic-Scale Simulations of Early Stage of Oxidation of Vicinal Si(001) Surfaces Using a Reactive ForceField Potential”, Jpn. J. Appl. Phys. 2011, 50, 10PF01.
  28. Heechae Choi and Yong-Chae Chung, “The role of structural variations in the magnetism of Fe/Cu(111): First-principles calculations”, Comput. Mater. Sci., 2010, 49, S291.
  29. Heechae Choi and Yong-Chae Chung, “Shape-Dependent Magnetic Moment and Formation Energy of Fe Heterostructures on Cu(111): An Ab initio Study”, Jpn. J. Appl. Phys., 2010, 49, 06GH14.
  30. Heechae Choi and Yong-Chae Chung, “Atomic structures and behaviors of a fcc Cu(111) surface with submonolayer Pb coverage”, Comput. Mater. Sci. 2010, 47, 693.
  31. Eung-Kwan Lee, Heechae Choi, Soon-Gun Lee, and Yong-Chae Chung, 'Energetics of Pb heterostructures formation on the Cu(111) in the early stage of the deposition process', J. Appl. Phys., 2010, 107, 114315.
  32. Heechae Choi, Chiho Kim, and Yong-Chae Chung, “Effect of nucleated Cu phase on magnetic properties and electronic structures in bcc Fe: Ab initio study”, J. Appl. Phys. 2009, 106, 083910.
  33. Heechae Choi, Sung Chul Yi, and Yong-Chae Chung, “Electronic structures and atomic surface diffusion in Cr/Fe(001) and Fe/Cr(001) systems: First-principles study”, Jpn. J. Appl. Phys. 2008, 47, 5076.


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