Detalles de la búsqueda
1.
Synthesis and Mechanism of 1D ZnO Based on Alkaline Dissolution-Conversion Strategy of High Stable and Soluble É-Zn(OH)2.
Small
; : e2312006, 2024 Mar 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-38431945
2.
Theoretical insights into surface-phase transition and ion competition during alkali ion intercalation on the Cu4Se4 nanosheet.
Phys Chem Chem Phys
; 26(1): 323-335, 2023 Dec 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-38062997
3.
A Theoretical Analysis on the Oxidation and Water Dissociation Resistance on Group-IV Phosphide Monolayers.
Chemphyschem
; 21(22): 2539-2549, 2020 Nov 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-32990350
4.
Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments.
Phys Chem Chem Phys
; 22(14): 7633-7642, 2020 Apr 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-32227049
5.
DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface.
Phys Chem Chem Phys
; 16(11): 5213-20, 2014 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-24488298
6.
Interaction of human synovial phospholipase A2 with mixed lipid bilayers: a coarse-grain and all-atom molecular dynamics simulation study.
Biochemistry
; 52(8): 1477-89, 2013 Feb 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-23343574
7.
Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?
Phys Chem Chem Phys
; 15(39): 16819-27, 2013 Oct 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-24002442
8.
Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations.
Nanomaterials (Basel)
; 13(23)2023 Dec 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-38063766
9.
A theoretical descriptor for screening efficient NO reduction electrocatalysts from transition-metal atoms on N-doped BP monolayer.
J Colloid Interface Sci
; 623: 432-444, 2022 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-35597013
10.
How Do Oxygen Vacancies Influence the Catalytic Performance of Two-Dimensional Nb2 O5 in Lithium- and Sodium-Oxygen Batteries?
ChemSusChem
; 14(24): 5488-5498, 2021 Dec 17.
Artículo
en Inglés
| MEDLINE | ID: mdl-34643049
11.
Theoretical Exploration of Electrochemical Nitrate Reduction Reaction Activities on Transition-Metal-Doped h-BP.
J Phys Chem Lett
; 12(16): 3968-3975, 2021 Apr 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-33872506
12.
Enhanced catalytic performance of pillared δ-MnO2 with enlarged layer spaces for lithium- and sodium-oxygen batteries: a theoretical investigation.
Nanoscale
; 13(48): 20637-20648, 2021 Dec 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-34877961
13.
Single Nb or W Atom-Embedded BP Monolayers as Highly Selective and Stable Electrocatalysts for Nitrogen Fixation with Low-Onset Potentials.
ACS Appl Mater Interfaces
; 13(8): 10026-10036, 2021 Mar 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-33593048
14.
Structural characterization on the gel to liquid-crystal phase transition of fully hydrated DSPC and DSPE bilayers.
J Phys Chem B
; 113(23): 8114-23, 2009 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-19453146
15.
High-order virial coefficients and equation of state for hard sphere and hard disk systems.
Phys Chem Chem Phys
; 11(41): 9382-90, 2009 Nov 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-19830321
16.
A novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfaces.
J Chem Phys
; 131(2): 024704, 2009 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-19604007
17.
Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.
J Chem Phys
; 131(13): 134703, 2009 Oct 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-19814566
18.
A density functional theory with a mean-field weight function: applications to surface tension, adsorption, and phase transition of a Lennard-Jones fluid in a slit-like pore.
J Phys Chem B
; 112(48): 15407-16, 2008 Dec 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-19006278
19.
Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations.
Materials (Basel)
; 11(10)2018 Sep 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-30249992
20.
Quantum capacitance, electrostatic potential, electronic and structural data for bare and functionalized niobium carbide MXenes.
Data Brief
; 15: 623-637, 2017 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-29124085