Detalhe da pesquisa
1.
Watching (De)Intercalation of 2D Metals in Epitaxial Graphene: Insight into the Role of Defects.
Small
; 20(11): e2306554, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-37919862
2.
Exploring Gas-Phase Chemical Reactions in NH3/B2H6 Systems for Chemical Vapor Deposition Using Reactive Molecular Dynamics.
J Phys Chem A
; 128(13): 2584-2593, 2024 Apr 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-38529819
3.
Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling.
J Chem Phys
; 160(9)2024 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38426512
4.
Effect of Fe-O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics.
J Phys Chem A
; 127(48): 10339-10355, 2023 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37984360
5.
Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics.
J Chem Phys
; 158(5): 054109, 2023 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36754820
6.
Stable metal anodes enabled by a labile organic molecule bonded to a reduced graphene oxide aerogel.
Proc Natl Acad Sci U S A
; 117(48): 30135-30141, 2020 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33199622
7.
Molecular Alignment of a Meta-Aramid on Carbon Nanotubes by In Situ Interfacial Polymerization.
Nano Lett
; 22(3): 998-1006, 2022 02 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35080898
8.
Effects of interlayer confinement and hydration on capacitive charge storage in birnessite.
Nat Mater
; 20(12): 1689-1694, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34341525
9.
Cellulose Nanocrystals: Tensile Strength and Failure Mechanisms Revealed Using Reactive Molecular Dynamics.
Biomacromolecules
; 23(6): 2243-2254, 2022 06 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35549173
10.
Development and application of ReaxFF methodology for understanding the chemical dynamics of metal carbonates in aqueous solutions.
Phys Chem Chem Phys
; 24(5): 3322-3337, 2022 Feb 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35060576
11.
A reactive molecular dynamics study of bi-modal particle size distribution in binder-jetting additive manufacturing using stainless-steel powders.
Phys Chem Chem Phys
; 24(19): 11603-11615, 2022 May 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35535797
12.
Role of tilt grain boundaries on the structural integrity of WSe2 monolayers.
Phys Chem Chem Phys
; 24(44): 27241-27249, 2022 Nov 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36321754
13.
Condensation and growth of amorphous aluminosilicate nanoparticles via an aggregation process.
Phys Chem Chem Phys
; 24(16): 9229-9235, 2022 Apr 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35388814
14.
Atomistic level aqueous dissolution dynamics of NASICON-Type Li1+xAlxTi2-x(PO4)3 (LATP).
Phys Chem Chem Phys
; 24(7): 4125-4130, 2022 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35113112
15.
ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis.
J Phys Chem A
; 126(4): 568-582, 2022 Feb 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35049316
16.
Dynamics of the Chemically Driven Densification of Barium Titanate Using Molten Hydroxides.
Nano Lett
; 21(8): 3451-3457, 2021 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33852297
17.
Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS2 Monolayer Films.
Nano Lett
; 21(15): 6487-6495, 2021 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34314181
18.
Perfect and Defective 13C-Furan-Derived Nanothreads from Modest-Pressure Synthesis Analyzed by 13C NMR.
J Am Chem Soc
; 2021 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34130458
19.
Atomically thin half-van der Waals metals enabled by confinement heteroepitaxy.
Nat Mater
; 19(6): 637-643, 2020 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-32157191
20.
ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets.
Phys Chem Chem Phys
; 23(18): 10822-10834, 2021 May 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33908500