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Journal of Physical Chemistry C, ISSN 1932-7447, 07/2018, Volume 122, Issue 27, pp. 15155 - 15162
We systematically investigated p- and n-type doping effects on the electrical conductivity of spine] Li4Ti5O12 (LTO) by designing theoretically stoichiometric... 
INSERTION | RECHARGEABLE BATTERIES | PERFORMANCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | LITHIUM BATTERIES | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | TOTAL-ENERGY CALCULATIONS | INITIO MOLECULAR-DYNAMICS | TRANSITION | ELECTRODE | SPINEL OXIDES | WAVE BASIS-SET
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 17, pp. 11620 - 11623
Journal Article
Journal Article
ACS Applied Materials and Interfaces, ISSN 1944-8244, 10/2018, Volume 10, Issue 42, pp. 36240 - 36248
A fundamental understanding of the thermomechanical properties of electrode materials and Li-ion diffusion kinetics is indispensable for designing... 
anode material | Psi-graphene | atomistic simulation | thermomechanical properties | Li-ion batteries
Journal Article
by Choi, Y and Hwang, J and Kim, KM and Jana, S and Lee, SU and Chae, J and Chang, J
ANALYTICAL CHEMISTRY, ISSN 0003-2700, 05/2019, Volume 91, Issue 9, pp. 5850 - 5857
Journal Article
Chemical Communications, ISSN 1359-7345, 2018, Volume 54, Issue 85, pp. 12069 - 12072
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2014, Volume 53, Issue 20, pp. 5059 - 5063
Journal Article
ISSN 2050-7488, 5/2019, Volume 7, Issue 2, pp. 1276 - 12712
To mitigate the ever-growing global temperature rise, renewable energy is needed and use of fossil fuels has to be reduced on an urgent basis. Next-generation... 
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 4/2016, Volume 18, Issue 16, pp. 11558 - 11558
Correction for 'Aromatic cages B 42 0/+ : unprecedented existence of octagonal holes in boron clusters' by Truong Ba Tai et al. , Phys. Chem. Chem. Phys. ,... 
Journal Article
RSC Advances, ISSN 2046-2069, 2018, Volume 8, Issue 6, pp. 3328 - 3342
Nitro-nitrito isomerization in Co(NH3)(5)NO22+ linkage isomers was investigated with a focus on the geometries, relative stabilities and chemical bonding using... 
SINGLE-CRYSTAL | MOLECULAR-STRUCTURE | CRYSTAL-STRUCTURE | ISOMERIZATION | COMPLEXES | ION | STRUCTURAL ISOMERISM | CHEMISTRY, MULTIDISCIPLINARY | SOLID-STATE | ELECTRON LOCALIZATION | AQUEOUS-SOLUTION | Potential energy | Ammonia | Hydrogen bonds | Isomerization | Chemical bonds | Nitrogen dioxide | Isomers
Journal Article
ISSN 1359-7345, 10/2018, Volume 54, Issue 85, pp. 1269 - 1272
Weakly emissive phosphine compounds, which contain a carbazolyl donor−triarylboryl acceptor luminophore, become strongly delayed fluorescent upon changes to... 
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 11/2018, Volume 2018, Issue 41, p. 5717
Journal Article