참고문헌
- John Conti, International Energy Outlook 2016. DOE, Ed. Washington, DC, (2016) 1-18.
- Gregorio Marban, Teresa Valdes-Solis, Towards the hydrogen economy, Int. J. Hydrogen Energy 32 (2007) 1625-1637. https://doi.org/10.1016/j.ijhydene.2006.12.017
- S Dasappa, PJ Paul, HS Mukunda, NKS Rajan, G Sridhar, HV Sridhar, Biomass gasification technology-a route to meet energy needs. Curr. Sci. 87 (2004) 908-916.
- A Boudghene Stambouli, E Traversa, Fuel cells, an alternative to standard sources of energy. Renewable Sustainable Energy Rev. 6 (2002) 295-304. https://doi.org/10.1016/S1364-0321(01)00015-6
- C Retna Raj, Arpan Samanta, Seung Hyo Noh, Siniya Mondal, Takeyoshi Okajima, Takeo Ohsaka, Emerging new generation electrocatalysts for the oxygen reduction reaction. J. Mater. Chem. A 4 (2016) 11156-11178. https://doi.org/10.1039/C6TA03300H
- D Yogi Goswami, Sanjay Vijayaraghavan, Shaoguang Lu, Gunnar Tamm, New and emerging developments in solar energy. Sol. Energy 76 (2004) 33-43. https://doi.org/10.1016/S0038-092X(03)00103-8
- Byungchan Han, First Principles Study of Effect of Surface Structure on Chemical Activity of Pt Electrocatalysts in Fuel Cells. Massachusetts Institute of Technology (2007) 15-153.
- Ying Shirley Meng, M Elena Arroyo-de Dompablo, First principles computational materials design for energy storage materials in lithium ion batteries. Energy Environ. Sci. 2 (2009) 589-609. https://doi.org/10.1039/b901825e
- Pierre Hohenberg, Walter Kohn, Inhomogeneous electron gas. Physical review 136 (1964) B864. https://doi.org/10.1103/PhysRev.136.B864
- Peter E Blochl, Projector augmented-wave method. Phys. Rev. B 50 (1994) 17953. https://doi.org/10.1103/PhysRevB.50.17953
- John P Perdew, Kieron Burke, Matthias Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77 (1996) 3865. https://doi.org/10.1103/PhysRevLett.77.3865
- Georg Kresse, Jurgen Furthmuller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54 (1996) 11169. https://doi.org/10.1103/PhysRevB.54.11169
- Hubert A Gasteiger, Shyam S Kocha, Bhaskar Sompalli, Frederick T Wagner, Activity benchmarks and requirements for Pt, Pt-alloy, and non-Pt oxygen reduction catalysts for PEMFCs. Appl. Catal., B 56 (2005) 9-35. https://doi.org/10.1016/j.apcatb.2004.06.021
- Mark K Debe, Electrocatalyst approaches and challenges for automotive fuel cells. Nature 486 (2012) 43-51. https://doi.org/10.1038/nature11115
- Wolf Vielstich, Harumi Yokokawa, Hubert Andreas Gasteiger, Handbook of fuel cells: fundamentals technology and applications. John Wiley & Sons (2009) 1-17.
- H. B. Callen, Thermodynamics and an Introduction to Thermostatistics. 2nd ed., AAPT (1998) 1-50.
- Edward F Holby, Wenchao Sheng, Yang Shao-Horn, Dane Morgan, Pt nanoparticle stability in PEM fuel cells: influence of particle size distribution and crossover hydrogen. Energy Environ. Sci. 2 (2009) 865-871. https://doi.org/10.1039/b821622n
- MJN Pourbaix, J Van Muylder, N De Zoubov, Electrochemical properties of the platinum metals. Platinum Met. Rev. 3 (1959) 47-53.
- Lei Tang, Byungchan Han, Kristin Persson, Cody Friesen, Ting He, Karl Sieradzki, Gerbrand Ceder, Electrochemical stability of nanometer-scale Pt particles in acidic environments. J. Am. Chem. Soc. 132 (2009) 596-600.
- Jens Kehlet Norskov, Jan Rossmeisl, Ashildur Logadottir, LRKJ Lindqvist, John R Kitchin, Thomas Bligaard, Hannes Jonsson, Origin of the overpotential for oxygen reduction at a fuel-cell cathode. J. Phys. Chem. B 108 (2004) 17886-17892. https://doi.org/10.1021/jp047349j
- Byungchan Han, Venkatasubramanian Viswanathan, Heinz Pitsch, First-principles based analysis of the electrocatalytic activity of the unreconstructed pt(100) surface for oxygen reduction reaction. J. Phys. Chem. C 116 (2012) 6174-6183. https://doi.org/10.1021/jp2075379
- Seung Hyo Noh, Min Ho Seo, Joon Kyo Seo, Peter Fischer, Byungchan Han, First principles computational study on the electrochemical stability of Pt-Co nanocatalysts. Nanoscale 5 (2013) 8625-8633. https://doi.org/10.1039/c3nr02611f
- J Greeley, IEL Stephens, AS Bondarenko, Tobias Peter Johansson, Heine Anton Hansen, TF Jaramillo, Jan Rossmeisl, INJK Chorkendorff, Jens Kehlet Norskov, Alloys of platinum and early transition metals as oxygen reduction electrocatalysts. Nat. Chem. 1 (2009) 552-556. https://doi.org/10.1038/nchem.367
- Axel van de Walle, Gerbrand Ceder, Automating first-principles phase diagram calculations. J. Phase Equilib. 23 (2002) 348. https://doi.org/10.1361/105497102770331596
- Byungchan Han, Anton Van der Ven, Gerbrand Ceder, Bing-Joe Hwang, Surface segregation and ordering of alloy surfaces in the presence of adsorbates. Physical Review B 72 (2005) 205409. https://doi.org/10.1103/PhysRevB.72.205409
- Seung Hyo Noh, Byungchan Han, Takeo Ohsaka, First-principles computational study of highly stable and active ternary PtCuNi nanocatalyst for oxygen reduction reaction. Nano Res. 8 (2015) 3394-3403. https://doi.org/10.1007/s12274-015-0839-2
- Hyon Chol Kang, Hanfei Yan, Yong S Chu, Su Yong Lee, Jungdae Kim, Evgeny Nazaretski, Chan Kim, Okkyun Seo, Albert T Macrander, G Brian Stephenson, Oxidation of PtNi nanoparticles studied by a scanning X-ray fluorescence microscope with multi-layer Laue lenses. Nanoscale 5 (2013) 7184-7187. https://doi.org/10.1039/c3nr00396e
- Seung Hyo Noh, Min Ho Seo, Joonhee Kang, Takeyoshi Okajima, Byungchan Han, Takeo Ohsaka, Towards a comprehensive understanding of FeCo coated with N-doped carbon as a stable bi-functional catalyst in acidic media. NPG Asia Mater. 8 (2016) e312. https://doi.org/10.1038/am.2016.142
- Xiaoju Cui, Pengju Ren, Dehui Deng, Jiao Deng, Xinhe Bao, Single layer graphene encapsulating non-precious metals as high-performance electrocatalysts for water oxidation. Energy Environ. Sci. 9 (2016) 123-129. https://doi.org/10.1039/C5EE03316K
- Gyutae Nam, Joohyuk Park, Min Choi, Pilgun Oh, Suhyeon Park, Min Gyu Kim, Noejung Park, Jaephil Cho, Jang-Soo Lee, Carbon-Coated Core-Shell Fe-Cu Nanoparticles as Highly Active and Durable Electrocatalysts for a Zn-Air Battery. ACS Nano 9 (2015) 6493-6501. https://doi.org/10.1021/acsnano.5b02266
- Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Commentary: The Materials Project: A materials genome approach to accelerating materials innovation. APL Mater. 1 (2013) 011002. https://doi.org/10.1063/1.4812323
- MI Jordan, TM Mitchell, Machine learning: Trends, perspectives, and prospects. Science 349 (2015) 255-260. https://doi.org/10.1126/science.aaa8415
- Arun Mannodi-Kanakkithodi, Ghanshyam Pilania, Tran Doan Huan, Turab Lookman, Rampi Ramprasad, Machine learning strategy for accelerated design of polymer dielectrics. Sci. Rep. 6 (2016) 20952. https://doi.org/10.1038/srep20952