Detalhe da pesquisa
1.
Establishment and validation of an electron inelastic mean free path database for narrow bandgap inorganic compounds with a machine learning approach.
Phys Chem Chem Phys
; 25(27): 17923-17942, 2023 Jul 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37376953
2.
Metal-Organic Framework-Derived Graphene Mesh: a Robust Scaffold for Highly Exposed Fe-N4 Active Sites toward an Excellent Oxygen Reduction Catalyst in Acid Media.
J Am Chem Soc
; 144(21): 9280-9291, 2022 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35604393
3.
Heusler alloy catalysts for electrochemical CO2 reduction.
J Chem Phys
; 157(7): 074704, 2022 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35987593
4.
Sp-Hybridized Nitrogen as New Anchoring Sites of Iron Single Atoms to Boost the Oxygen Reduction Reaction.
Angew Chem Int Ed Engl
; 61(38): e202208238, 2022 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35879858
5.
Formation of oxygen vacancies in Li2FeSiO4: first-principles calculations.
Phys Chem Chem Phys
; 23(36): 20444-20452, 2021 Sep 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34494626
6.
Epitaxial Growth of Rectangle Shape MoS2 with Highly Aligned Orientation on Twofold Symmetry a-Plane Sapphire.
Small
; 16(16): e2000596, 2020 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-32162833
7.
Rational Design of Nanoporous MoS2 /VS2 Heteroarchitecture for Ultrahigh Performance Ammonia Sensors.
Small
; 16(12): e1901718, 2020 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31515944
8.
Crystal Growth, Structural Analysis, and Pressure-Induced Superconductivity in a AgIn5Se8 Single Crystal Explored by a Data-Driven Approach.
Inorg Chem
; 59(1): 325-331, 2020 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31814391
9.
Unveiling the principle descriptor for predicting the electron inelastic mean free path based on a machine learning framework.
Sci Technol Adv Mater
; 20(1): 1090-1102, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31807220
10.
Structure prediction of boron-doped graphene by machine learning.
J Chem Phys
; 148(24): 241716, 2018 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29960333
11.
Data-driven exploration of new pressure-induced superconductivity in PbBi2Te4.
Sci Technol Adv Mater
; 19(1): 909-916, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30636994
12.
MDTS: automatic complex materials design using Monte Carlo tree search.
Sci Technol Adv Mater
; 18(1): 498-503, 2017.
Artigo
em Inglês
| MEDLINE | ID: mdl-28804525
13.
Active sites and mechanisms for oxygen reduction reaction on nitrogen-doped carbon alloy catalysts: Stone-Wales defect and curvature effect.
J Am Chem Soc
; 136(39): 13629-40, 2014 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-25216893
14.
Theoretical characterization of X-ray absorption, emission, and photoelectron spectra of nitrogen doped along graphene edges.
J Phys Chem A
; 117(3): 579-89, 2013 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23270514
15.
Mixed Sulfur/Selenium Anions Weaken Electron-Vibrational Interaction in Cu2ZnSn(S,Se)4 Photoabsorber.
J Phys Chem Lett
; 14(1): 107-115, 2023 Jan 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36574224
16.
Interlayer Charge Transport in 2D Lead Halide Perovskites from First Principles.
J Chem Theory Comput
; 19(24): 9403-9415, 2023 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38048307
17.
Charge Compensation Mechanisms and Oxygen Vacancy Formations in LiNi1/3Co1/3Mn1/3O2: First-Principles Calculations.
ACS Omega
; 7(17): 14875-14886, 2022 May 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35557692
18.
Li8MnO6: A Novel Cathode Material with Only Anionic Redox.
ACS Appl Mater Interfaces
; 14(26): 29832-29843, 2022 Jul 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35735752
19.
Identifying and Passivating Killer Defects in Pb-Free Double Cs2AgBiBr6 Perovskite.
J Phys Chem Lett
; 12(43): 10581-10588, 2021 Nov 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34694808
20.
Fe-Al-Si Thermoelectric (FAST) Materials and Modules: Diffusion Couple and Machine-Learning-Assisted Materials Development.
ACS Appl Mater Interfaces
; 13(45): 53346-53354, 2021 Nov 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34019762