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Magnetic Superatoms in VLin (n = 1-13) Clusters: A First-Principles Prediction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (48), p.13025-13036

2013

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Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction

Journal of applied physics, 2012-10, Vol.112 (8)

2012

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Higher-order topological insulators in two-dimensional Dirac materials

Physical review research, 2021-12, Vol.3 (4), Article L042044

2021

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Three-dimensional diffusion of molecular hydrogen in graphdiyne: a first-principles study

Journal of physics. D, Applied physics, 2013-12, Vol.46 (49), p.495307-6

2013

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Transition Metal Adsorbed-Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D

ACS omega, 2017-03, Vol.2 (3), p.1192-1197

2017

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Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

Crystals (Basel), 2018-01, Vol.8 (1), p.24

2018

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Chitosan-modified d-α-tocopheryl poly(ethylene glycol) 1000 succinate-b-poly(ε-caprolactone-ran-glycolide) nanoparticles for the oral chemotherapy of bladder cancer

Journal of applied polymer science, 2013-11, Vol.130 (3), p.2118-2126

2013

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Tunable Hydrogen Separation in sp–sp2 Hybridized Carbon Membranes: A First-Principles Prediction

Journal of physical chemistry. C, 2012-08, Vol.116 (31), p.16634-16638

2012

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Strain enhanced lithium adsorption and diffusion on silicene

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (9), p.6563-6568

2017

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Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability

Journal of applied physics, 2013-01, Vol.113 (4)

2013

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Berberine administrated with different routes attenuates inhaled LPS-induced acute respiratory distress syndrome through TLR4/NF-κB and JAK2/STAT3 inhibition

European journal of pharmacology, 2021-10, Vol.908, p.174349-174349, Article 174349

2021

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Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation

Small (Weinheim an der Bergstrasse, Germany), 2013-10, Vol.9 (20), p.3506-3513

2013

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First-principles prediction of a new planar hydrocarbon material: half-hydrogenated 14,14,14-graphyne

Physical chemistry chemical physics : PCCP, 2016-09, Vol.18 (34), p.23954-2396

2016

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First‐principles studies of lithium adsorption and diffusion on silicene with grain boundaries

International journal of quantum chemistry, 2019-07, Vol.119 (13), p.n/a

2019

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A computational investigation of boron-doped chromium and chromium clusters by density functional theory

Science China. Physics, mechanics & astronomy, 2010-05, Vol.53 (5), p.812-817

2010

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Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds

Physical chemistry chemical physics : PCCP, 2015-08, Vol.17 (31), p.20376-20381

2015

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First-principles investigations of chirality in trimetallic alloy clusters: AlMnAun (n = 1-7)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-04, Vol.119 (14), p.3458-3470

2015

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White PeLED with the composite emission layer of organic small molecule and perovskite materials preparedby thermal evaporation

Ke xue tong bao, 2022-01, Vol.67 (2), p.193-203

2022

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Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1-4) cluster toppings and fillings: A first-principles investigation

Scientific reports, 2016-01, Vol.6 (1), p.19504-19504, Article 19504

2016

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Is Free Cyclooctatetraene Dianion an Aromatic System? A Quantum Chemistry Study

Chinese journal of chemistry, 2009-10, Vol.27 (10), p.1914-1918

2009

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Low-Energy Isomer Identification, Structural Evolution, and Magnetic Properties in Manganese-Doped Gold Clusters MnAu n (n = 1–16)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-02, Vol.116 (6), p.1493-1502

2012

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Evolution of lithium clusters to superatomic Li3O

Applied physics letters, 2017-09, Vol.111 (10)

2017

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Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bondsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02346g

2015-07

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Structures of Nanoalloy Clusters Au n Al n (n = 1–10) and the Growth Patterns to the Bulk Phase

Journal of physical chemistry. C, 2016-11, Vol.120 (44), p.25588-25595

2016

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First-principles study of monolayer MoS2 with deficient and excessive Mon and Sn (n=−3→3) clusters on 5×5 supercells

Computational materials science, 2016-08, Vol.121, p.124-130

2016

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Magnetic Superatoms in VLin (n = 1-13) Clusters: A First-Principles Prediction

Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction

Higher-order topological insulators in two-dimensional Dirac materials

Three-dimensional diffusion of molecular hydrogen in graphdiyne: a first-principles study

Transition Metal Adsorbed-Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D

Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

Chitosan-modified d-α-tocopheryl poly(ethylene glycol) 1000 succinate-b-poly(ε-caprolactone-ran-glycolide) nanoparticles for the oral chemotherapy of bladder cancer

Tunable Hydrogen Separation in sp–sp2 Hybridized Carbon Membranes: A First-Principles Prediction

Strain enhanced lithium adsorption and diffusion on silicene

Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability

Berberine administrated with different routes attenuates inhaled LPS-induced acute respiratory distress syndrome through TLR4/NF-κB and JAK2/STAT3 inhibition

Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation

First-principles prediction of a new planar hydrocarbon material: half-hydrogenated 14,14,14-graphyne

First‐principles studies of lithium adsorption and diffusion on silicene with grain boundaries

A computational investigation of boron-doped chromium and chromium clusters by density functional theory

Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds

First-principles investigations of chirality in trimetallic alloy clusters: AlMnAun (n = 1-7)

White PeLED with the composite emission layer of organic small molecule and perovskite materials preparedby thermal evaporation

Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1-4) cluster toppings and fillings: A first-principles investigation

Is Free Cyclooctatetraene Dianion an Aromatic System? A Quantum Chemistry Study

Low-Energy Isomer Identification, Structural Evolution, and Magnetic Properties in Manganese-Doped Gold Clusters MnAu n (n = 1–16)

Evolution of lithium clusters to superatomic Li3O

Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bondsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02346g

Structures of Nanoalloy Clusters Au n Al n (n = 1–10) and the Growth Patterns to the Bulk Phase

First-principles study of monolayer MoS2 with deficient and excessive Mon and Sn (n=−3→3) clusters on 5×5 supercells

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