Detalhe da pesquisa
1.
Atomic and Electronic Structure in MgO-SiO2.
J Phys Chem A
; 128(4): 716-726, 2024 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38236195
2.
Thermodynamic aspect of sulfur, polysulfide anion and lithium polysulfide: plausible reaction path during discharge of lithium-sulfur battery.
Phys Chem Chem Phys
; 23(11): 6832-6840, 2021 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33725042
3.
Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase: ab initio molecular dynamics study.
Phys Chem Chem Phys
; 22(19): 10764-10774, 2020 May 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32159181
4.
Combined Theoretical and Experimental Studies of Sodium Battery Materials.
Chem Rec
; 19(4): 792-798, 2019 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-30694022
5.
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents.
Phys Chem Chem Phys
; 21(48): 26399-26405, 2019 Dec 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31793954
6.
Prediction and optimization of epoxy adhesive strength from a small dataset through active learning.
Sci Technol Adv Mater
; 20(1): 1010-1021, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31692965
7.
Liquid electrolyte informatics using an exhaustive search with linear regression.
Phys Chem Chem Phys
; 20(35): 22585-22591, 2018 Sep 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29900449
8.
Surface Properties of CH3NH3PbI3 for Perovskite Solar Cells.
Acc Chem Res
; 49(3): 554-61, 2016 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26901120
9.
Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study.
Phys Chem Chem Phys
; 18(12): 8643-53, 2016 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26948716
10.
First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers.
J Am Chem Soc
; 137(32): 10048-51, 2015 Aug 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-26258577
11.
Unusual stability of acetonitrile-based superconcentrated electrolytes for fast-charging lithium-ion batteries.
J Am Chem Soc
; 136(13): 5039-46, 2014 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-24654781
12.
Arylpyrrole oligomers as tunable anion receptors.
Org Biomol Chem
; 12(29): 5492-9, 2014 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24945788
13.
A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution.
Phys Chem Chem Phys
; 16(36): 19530-9, 2014 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25103398
14.
Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulators.
J Chem Phys
; 140(7): 074112, 2014 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24559343
15.
Additive effect on reductive decomposition and binding of carbonate-based solvent toward solid electrolyte interphase formation in lithium-ion battery.
J Am Chem Soc
; 135(32): 11967-74, 2013 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23901789
16.
Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules.
J Chem Phys
; 139(9): 094113, 2013 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24028108
17.
Efficient algorithm of the transcorrelated method for periodic systems.
J Chem Phys
; 136(9): 094108, 2012 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-22401430
18.
Determining Factor on the Polarization Behavior of Magnesium Deposition for Magnesium Battery Anode.
ACS Appl Mater Interfaces
; 12(23): 25775-25785, 2020 Jun 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32395982
19.
Two-electron reduction of a Rh-Mo-Rh dithiolato complex to form a triplet ground state associated with a change in CO coordination mode.
J Am Chem Soc
; 131(4): 1388-9, 2009 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-19138070
20.
Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/Sulfide Electrolyte Interface in a Solid-State Battery.
ACS Appl Mater Interfaces
; 9(1): 286-292, 2017 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-27991765