Browse "College of Engineering(공과대학)" by Subject 1ST-PRINCIPLES

Showing results 1 to 18 of 18

1
Artificial synaptic devices based on biomimetic electrochemistry: A review

Baek, Ji Hyun; Im, In Hyuk; Hur, Eun-Mi; Park, Jungwon; Lim, Jongwoo; Kim, Sangbum; Kang, Kibum; et al, MATERIALS RESEARCH BULLETIN, v.176, 2024-08

2
Assessments of Semilocal Density Functionals and Corrections for Carbon Dioxide Adsorption on Metal-Organic Frameworks

Ji, Hyunjun; Park, Joonho; Cho, Moses; Jung, You-Sung, CHEMPHYSCHEM, v.15, no.15, pp.3157 - 3165, 2014-10

3
Atomic-scale investigation of epsilon and theta precipitates in bainite in 100Cr6 bearing steel by atom probe tomography and ab initio calculations

Song, W.; von Appen, J.; Choi, Pyuck-Pa; Dronskowski, R.; Raabe, D.; Bleck, W., ACTA MATERIALIA, v.61, no.20, pp.7582 - 7590, 2013-12

4
Cesium Ion-Mediated Microporous Carbon for CO2 Capture and Lithium-Ion Storage

Lee, Hyeon Jeong; Ko, Dongah; Kim, Joo-Seong; Park, Youngbin; Hwang, Insu; Yavuz, Cafer T.; Choi, Jang Wook, CHEMNANOMAT, v.7, no.2, pp.150 - 157, 2021-02

5
DFT Study of Water Adsorption and Decomposition on a Ga-Rich GaP(001)(2x4) Surface

Jeon, Seokmin; Kim, Hyungjun; Goddard, William A.; Atwater, Harry A., JOURNAL OF PHYSICAL CHEMISTRY C, v.116, no.33, pp.17604 - 17612, 2012-08

6
Dopant-Assisted Control of the Crystallite Domain Size in Hollow Ternary Iridium Alloy Octahedral Nanocages toward the Oxygen Evolution Reaction

Kwon, Taehyun; Jun, Minki; Bang, Gi Joo; Yang, Heesu; Joo, Jinwhan; Kim, Taekyung; Kim, Jun; et al, CELL REPORTS PHYSICAL SCIENCE, v.1, no.12, pp.100260, 2020-12

7
Dry Spun 3D Woven Carbon Nanotube Anode Electrode for Li-Ion Batteries

Ryu, Seongwoo; Kim, Yunkyoung; Lee, Hae-Shin; Hong, Soon-Hyung, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.14, no.12, pp.9152 - 9157, 2014-12

8
Effects of the chemical etching of single-walled carbon nanotubes on their lithium storage properties

Eom, Ji-Yong; Kwon, Hyuk-Sang, MATERIALS CHEMISTRY AND PHYSICS, v.126, no.1-2, pp.108 - 113, 2011-03

9
External electric field induced hydrogen storage/release on calcium-decorated single-layer and bilayer silicene

Song, Er Hong; Yoo, Sung Ho; Kim, Jae Joon; Lai, Shiau Wu; Jiang, Qing; Cho, Sung-Oh, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.16, no.43, pp.23985 - 23992, 2014

10
First principles calculations of cohesive energy of fission-product-segregated grain boundary of UO2

Kim, Jae Joon; Seong, Hyun Woo; Ryu, Ho Jin, JOURNAL OF NUCLEAR MATERIALS, v.566, 2022-08

11
Hierarchical analysis of alloying element effects on gas nitriding rate of Fe alloys: A DFT, microkinetic and kMC study

Kang, Ku; Kwon, Soonho; Lee, Changsoo; Hong, Doosun; Lee, Hyuck Mo, ACTA MATERIALIA, v.174, pp.173 - 180, 2019-08

12
Mechanistic Investigation of the Catalytic Decomposition of Ammonia (NH3) on an Fe(100) Surface: A DFT Study

Yeo, Sang Chul; Han, Sang Soo; Lee, Hyuck Mo, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.10, pp.5309 - 5316, 2014-03

13
Off-Stoichiometry Induced Few-Nanometer Surface Layer for High-Performance Layered Cathode in Nonaqueous and Aqueous Electrolytes

Lee, Hyeon Jeong; Lee, Ji Hoon; Son, In Hyuk; Han, Sangil; Byeon, Pilgyu; Park, Min-Sik; Chung, Sung-Yoon; et al, ACS APPLIED ENERGY MATERIALS, v.1, no.10, pp.5726 - 5734, 2018-10

14
Polymorphic Phase Control Mechanism of Organic Inorganic Hybrid Perovskite Engineered by Dual-Site Alloying

Jeon, Jiwon; Eom, Taedaehyeong; Lee, Eunyeong; Kim, Sol; Kim, Sanghak; Hong, Ki-Ha; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY C, v.121, no.17, pp.9508 - 9515, 2017-05

15
Polymorphism and phase transformations of Li2-xFeSiO4 (0 <= x <= 2) from first principles

Seo, Dong-Hwa; Kim, Hyungsub; Park, Inchul; Hong, Jihyun; Kang, Kisuk, PHYSICAL REVIEW B, v.84, no.22, 2011-12

16
Recent progress in computational discovery of Heusler alloys

Jin, Taewon; Jung, Yousung, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.43, no.4, pp.484 - 491, 2022-04

17
Role of Ordered Ni atoms in Li Layers for Li-rich Layered Cathode Materials

Yang, Moon Young; Kim, Sangryun; Kim, Kyungsu; Cho, Woosuk; Choi, Jang Wook; Nam, Yoon Sung, ADVANCED FUNCTIONAL MATERIALS, v.27, no.35, 2017-09

18
Suppressing Charged Cation Antisites via Se Vapor Annealing Enables p-Type Dopability in AgBiSe2-SnSe Thermoelectrics

Jang, Hanhwi; Toriyama, Michael Y.; Abbey, Stanley; Frimpong, Brakowaa; Male, James P.; Snyder, G. Jeffrey; Jung, Yeon Sik; et al, ADVANCED MATERIALS, v.34, no.38, 2022-09

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