Browsing bySubjectAUGMENTED-WAVE METHOD
Showing results 1 to 22 of 22
| Issue Date | Title | Author(s) |
|---|---|---|
| 2017-08-31 | Atomistic Origin of Phase Stability in Oxygen-Functionalized MXene: A Comparative Study | Mishra, Avanish; Srivastava, Pooja; Carreras, Abel; Tanaka, Isao; Mizuseki, Hiroshi; Lee, Kwang-Ryeol; Singh, Abhishek K. |
| 2016-09 | Base tolerant polybenzimidazolium hydroxide membranes for solid alkaline-exchange membrane fuel cells | Lee, Ju Yeon; Lim, Dong-Hee; Chae, Ji Eon; Choi, Jieun; Kim, Bo Hyun; Lee, So Young; Yoon, Chang Won; Nam, Sang Yong; Jang, Jong Hyun; Henkensmeier, Dirk; Yoo, Sung Jong; Kim, Jin-Young; Kim, Hyoung-Juhn; Ham, Hyung Chul |
| 2015-10-15 | Calculation of proton conductivity at the Sigma 3(111)/[1(1)over-bar0] tilt grain boundary of barium zirconate using density functional theory | Yang, Jin-Hoon; Kim, Byung-Kook; Kim, Yeong-Cheol |
| 2016-12 | Chromate adsorption mechanism on nanodiamond-derived onion-like carbon | Ko, Young-Jin; Choi, Keunsu; Lee, Soonjae; Cho, Jung-Min; Choi, Heon-Jin; Hong, Seok Won; Choi, Jae-Woo; Mizuseki, Hiroshi; Lee, Wook-Seong |
| 2011-10-15 | Color of TiN and ZrN from first-principles calculations | Kim, Jinwoong; Jhi, Seung-Hoon; Lee, Kwang Ryeol |
| 2015-01-21 | Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M=3d transition metals) alloy catalyst from first-principles | Kim, Chang-Eun; Lim, Dong-Hee; Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo; Hong, Seong-Ahn; Soon, Aloysius; Ham, Hyung Chul |
| 2016-01 | Effect of nitrogen doping on titanium carbonitride-derived adsorbents used for arsenic removal | Han, Jisun; Lee, Soonjae; Choi, Keunsu; Kim, Jinhong; Ha, Daegwon; Lee, Chang-Gu; An, Byungryul; Lee, Sang-Hyup; Mizuseki, Hiroshi; Choi, Jae-Woo; Kang, Shinhoo |
| 2011-07 | Energetics and Interdiffusion at the Cu/Ru(0001) Interface: Density Functional Calculations | Shin, Jinhyun; Vita, Astini; Windu, Sari; Choi, Jung-Hae; Lee, Seung-Cheol; Lee, June Gunn |
| 2009-01-01 | Energetics of He and H atoms with vacancies in tungsten: First-principles approach | Lee, Seung-Cheol; Choi, Jung-Hae; Lee, June Gunn |
| 2015-06-03 | Epitaxial Growth of a Single-Crystal Hybridized Boron Nitride and Graphene Layer on a Wide-Band Gap Semiconductor | Shin, Ha-Chul; Jang, Yamujin; Kim, Tae-Hoon; Lee, Jun-Hae; Oh, Dong-Hwa; Ahn, Sung Joon; Lee, Jae Hyun; Moon, Youngkwon; Park, Ji-Hoon; Yoo, Sung Jong; Park, Chong-Yun; Whang, Dongmok; Yang, Cheol-Woong; Ahn, Joung Real |
| 2017-11 | Hierarchical cobalt-nitride and -oxide co-doped porous carbon nanostructures for highly efficient and durable bifunctional oxygen reaction electrocatalysts | Lee, Kyung Jin; Shin, Dong Yun; Byeon, Ayeong; Lim, Ahyoun; Jo, Young Suk; Begley, Alina; Lim, Dong-Hee; Sung, Yung-Eun; Park, Hyun S.; Chae, Keun Hwa; Nam, Suk Woo; Lee, Kwan-Young; Kim, Jin Young |
| 2013-07 | Magnetism in Lithium-Oxygen Discharge Product | Lu, Jun; Jung, Hun-Ji; Lau, Kah Chun; Zhang, Zhengcheng; Schlueter, John A.; Du, Peng; Assary, Rajeev S.; Greeley, Jeffrey; Ferguson, Glen A.; Wang, Hsien-Hau; Hassoun, Jusef; Iddir, Hakim; Zhou, Jigang; Zuin, Lucia; Hu, Yongfeng; Sun, Yang-Kook; Scrosati, Bruno; Curtiss, Larry A.; Amine, Kahlil |
| 2017-09-21 | Monolayer BC2: an ultrahigh capacity anode material for Li ion batteries | Das, Deya; Hardikar, Rahul P.; Han, Sang Soo; Lee, Kwang-Ryeol; Singh, Abhishek K. |
| 2018-12 | PASTA: Python Algorithms for Searching Transition stAtes | Kundu, Sudipta; Bhattacharjee, Satadeep; Lee, Seung-Cheol; Jain, Manish |
| 2015-07 | Proton conduction at BaO-terminated (001) BaZrO3 surface using density functional theory | Kim, Ji-Su; Yang, Jin-Hoon; Kim, Byung-Kook; Kim, Yeong-Cheol |
| 2018-09 | Quantitative Analysis of Calcium Phosphate Nanocluster Growth Using Time-of-Flight Medium-Energy-Ion-Scattering Spectroscopy | Park, Jimin; Yang, Ki Dong; Kim, Na-Young; Jung, Kang-Won; Le, Viet-Duc; Lim, Hee-Jin; An, Junghyun; Jin, Kyoungsuk; Kim, Yong-Hyun; Nam, Ki Tae; Moon, DaeWon |
| 2017-10-18 | Soft phonon mode dynamics in Aurivillius-type structures | Maurya, Deepam; Charkhesht, Ali; Nayak, Sanjeev K.; Sun, Fu-Chang; George, Deepu; Pramanick, Abhijit; Kang, Min-Gyu; Song, Hyun-Cheol; Alexander, Marshall M.; Lou, Djamila; Khodaparast, Giti A.; Alpay, S. P.; Vinh, N. Q.; Priya, Shashank |
| 2016-06-14 | Solid state synthesis, structural characterization and ionic conductivity of bimetallic alkali-metal yttrium borohydrides MY(BH4)(4) (M = Li and Na) | Roedern, Elsa; Lee, Young-Su; Ley, Morten B.; Park, Kiho; Cho, Young Whan; Skibsted, Jorgen; Jensen, Torben R. |
| 2015-03 | Structure dependent active sites of NixSy as electrocatalysts for hydrogen evolution reaction | Chung, Dong Young; Han, Joung Woo; Lim, Dong-Hee; Jo, Jun-Ho; Yoo, Sung Jong; Lee, Hyunjoo; Sung, Yung-Eun |
| 2013-09-05 | Theoretical Investigation of the Adsorption and C-C Bond Scission of CCH3 on the (111) and (100) Surfaces of Pd: Comparison with Pt | Kim, Seok Ki; Shin, Jungho; Moon, Sang Heup; Kim, Jaehoon; Lee, Seung-Cheol |
| 2018-03-01 | Three-dimensional evaluation of compositional and structural changes in cycled LiNi1/3Co1/3Mn1/3O2 by atom probe tomography | Lee, Ji Yeong; Kim, Ji Yoon; Cho, Hae In; Lee, Chi Ho; Kim, Han Sung; Lee, Sang Uck; Prosa, Ty J.; Larson, David J.; Yu, Tae Hwan; Ahn, Jae-Pyoung |
| 2014-07 | Using a scale-bridging technique to determine the effect of elastic properties on stress distribution around the femoral stem of an artificial hip joint with a simplified geometry | Jeong, C. U.; Lee, S. -C.; Rhee, H. N.; Park, K. S.; Choi, S. -H. |
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