Detalhe da pesquisa
1.
Clamping enables enhanced electromechanical responses in antiferroelectric thin films.
Nat Mater
; 2024 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-38783106
2.
Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures.
Proc Natl Acad Sci U S A
; 118(17)2021 04 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-33893238
3.
LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory.
J Comput Chem
; 41(21): 1931-1940, 2020 Aug 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32531113
4.
Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids.
Phys Rev Lett
; 125(13): 136601, 2020 Sep 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33034486
5.
Combining phonon accuracy with high transferability in Gaussian approximation potential models.
J Chem Phys
; 153(4): 044104, 2020 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32752705
6.
ABINIT: Overview and focus on selected capabilities.
J Chem Phys
; 152(12): 124102, 2020 Mar 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-32241118
7.
The Limited Predictive Power of the Pauling Rules.
Angew Chem Int Ed Engl
; 59(19): 7569-7575, 2020 May 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32065708
8.
Sr3CrN3: A New Electride with a Partially Filled d-Shell Transition Metal.
J Am Chem Soc
; 141(27): 10595-10598, 2019 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31251610
9.
Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO2(110): A Discussion of the Sabatier Principle and Its Role in Electrocatalysis.
J Am Chem Soc
; 140(50): 17597-17605, 2018 Dec 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-30463402
10.
Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO2(110).
J Am Chem Soc
; 139(9): 3473-3479, 2017 03 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-28181433
11.
A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS3) and related substitutions.
Phys Chem Chem Phys
; 19(9): 6743-6756, 2017 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28211934
12.
Thinking Like a Chemist: Intuition in Thermoelectric Materials.
Angew Chem Int Ed Engl
; 55(24): 6826-41, 2016 06 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27111867
13.
Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.
Phys Rev Lett
; 114(13): 136601, 2015 Apr 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-25884131
14.
Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study.
Phys Chem Chem Phys
; 17(8): 5942-53, 2015 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25636088
15.
Data mining approaches to high-throughput crystal structure and compound prediction.
Top Curr Chem
; 345: 139-79, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-24287952
16.
The Defects Genome of Janus Transition Metal Dichalcogenides.
Adv Mater
; : e2403583, 2024 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38743929
17.
Small-pore hydridic frameworks store densely packed hydrogen.
Nat Chem
; 16(5): 809-816, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38321236
18.
A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation.
Nat Commun
; 15(1): 3556, 2024 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38670956
19.
Limits to Hole Mobility and Doping in Copper Iodide.
Chem Mater
; 35(21): 8995-9006, 2023 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38027540
20.
A map of single-phase high-entropy alloys.
Nat Commun
; 14(1): 2856, 2023 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37208345