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A

A. Vega

Universidad de Valladolid

H指数:32

被引数:3,497

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Ab Initio Study of the Structures, Bonding Interactions, and Thermal Stability of the Li-Decorated 2D Biphenylene Sheet

从头算研究锂修饰的二维联苯烯片的结构、成键相互作用及热稳定性

IF4.3

2025-05-070

OA

Usable hydrogen-storage capacities of Li-decorated borophene nanopores in charge-discharge cycles

JOURNAL OF ENERGY STORAGE

IF9.8

2024-07-012

OA

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

Li修饰的BC3纳米孔: 有希望的储氢材料

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2024-02-0110

OAAI

Fundamental resolution limit of quantum imaging with undetected photons

PHYSICAL REVIEW RESEARCH

IF4.2

2022-09-3013

OA

A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties

ACTA MATERIALIA

IF9.3

2021-11-015

OAAI

Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

APPLIED SURFACE SCIENCE

IF6.9

2021-10-0123

OAAI

Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2021-04-0124

OAAI

Tuning the Magnetic Moment of Small Late 3d-Transition-Metal Oxide Clusters by Selectively Mixing the Transition-Metal Constituents

通过选择性混合过渡金属成分来调节小的3d后期过渡金属氧化物簇的磁矩

IF4.3

2020-09-112

OAAI

Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2020-04-018

OAAI

Incorporating charge transfer effects into a metallic empirical potential for accurate structure determination in (ZnMg)Nnanoalloys

IF5.1

2020-01-013

OAAI

Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2019-01-0140

OAAI

Properties Design: Prediction and Experimental Validation of the Luminescence Properties of a New EuII-Based Phosphor

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2018-10-0511

PREAI

Density Functional Study of Charge Transfer at the Graphene/lonic Liquid Interface

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-07-0211

PREAI

Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters

IF5.1

2018-01-0117

OAAI

Nanoscale reactivity of ZnxMg20-x investigated by structural and electronic indicators

CORROSION SCIENCE

IF8.5

2017-08-015

PREAI

Density functional study of the optical response of FeN and CoN nitrides with zinc-blend and rock-salt structures

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2017-01-0113

PREAI

New structural and electronic properties of (TiO2)10

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-2013

PREAI

Zn17 Superatom Cage Doped with 3d Transition-Metal (TM) Impurities (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu)

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-11-256

PREAI

Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study

Ti修饰之字形石墨烯纳米带储氢研究.范德华校正的密度泛函研究

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2015-04-0175

PREAI

Structural, Vibrational, and Magnetic Properties of FeCoOn0/+ (n=1-6) Bimetallic Oxide Clusters

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-02-058

PREAI