Computational Evaluation of Li-doped g-C2N Monolayer as Advanced Hydrogen Storage Media
出版年份 2021 全文链接
标题
Computational Evaluation of Li-doped g-C2N Monolayer as Advanced Hydrogen Storage Media
作者
关键词
DFT, AIMD, DOS, Ab initio
出版物
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 47, Issue 6, Pages 3625-3632
出版商
Elsevier BV
发表日期
2021-12-02
DOI
10.1016/j.ijhydene.2021.11.003
参考文献
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- (2021) P. Álvarez-Zapatero et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Understanding the Intra‐Molecular Proton Transfer of Octahydrotriborate and Exploring the Dehydrogenation Pathways of NH 4 B 3 H 8 by DFT Calculations
- (2021) Peng Gao et al. Advanced Theory and Simulations
- Computational exploration of magnesium-decorated carbon nitride (g-C3N4) monolayer as advanced energy storage materials
- (2021) Peng Gao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Lithium-functionalized boron phosphide nanotubes (BPNTs) as an efficient hydrogen storage carrier
- (2021) Günther Luft Cardoso et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Lithium clusters on graphene surface and their ability to adsorb hydrogen molecules
- (2021) Marisol Ibarra-Rodríguez et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- An investigation of Li-decorated N-doped penta-graphene for hydrogen storage
- (2021) Jinbo Hao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Computational evaluation of superalkali-decorated graphene nanoribbon as advanced hydrogen storage materials
- (2021) Peng Gao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Computational evaluation of Mg-decorated g-CN as clean energy gas storage media
- (2021) Xihao Chen et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Hydrogen storage in lithium, sodium and magnesium-decorated on tetragonal silicon carbide
- (2021) Majid EL Kassaoui et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Exploration of the Dehydrogenation Pathways of Ammonia Diborane and Diammoniate of Diborane by Molecular Dynamics Simulations Using Reactive Force Fields
- (2020) Peng Gao et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Understanding the Dehydrogenation Pathways of Ammonium Octahydrotriborate (NH 4 B 3 H 8 ) by Molecular Dynamics Simulations with the Reactive Force Field (ReaxFF)
- (2020) Peng Gao et al. Advanced Theory and Simulations
- Strain-Tunable Visible-Light-Responsive Photocatalytic Properties of Two-Dimensional CdS/g-C3N4: A Hybrid Density Functional Study
- (2019) Guangzhao Wang et al. Nanomaterials
- Construction of heterostructured g-C3N4@TiATA/Pt composites for efficacious photocatalytic hydrogen evolution
- (2019) Ziqian Gao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Facile synthesis of C-doped hollow spherical g-C3N4 from supramolecular self-assembly for enhanced photoredox water splitting
- (2019) Guangqing Liu et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping
- (2019) Puspamitra Panigrahi et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Magnetic Moment Controlling Desorption Temperature in Hydrogen Storage: A Case of Zirconium-Doped Graphene as a High Capacity Hydrogen Storage Medium
- (2017) A. Yadav et al. Journal of Physical Chemistry C
- Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density
- (2017) Corentin Lefebvre et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Computational Evaluation of Lithium-Functionalized Carbon Nitride (g-C6N8) Monolayer as an Efficient Hydrogen Storage Material
- (2016) Tanveer Hussain et al. Journal of Physical Chemistry C
- High-capacity hydrogen storage in Li-adsorbed g-C3N4
- (2016) Jianfeng Wei et al. MATERIALS CHEMISTRY AND PHYSICS
- Structural Investigation of Graphitic Carbon Nitride via XRD and Neutron Diffraction
- (2015) Federica Fina et al. CHEMISTRY OF MATERIALS
- Hydrogen storage performance of palladium nanoparticles decorated graphitic carbon nitride
- (2015) Asalatha A.S. Nair et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- The physical properties of Li-doped g-C3N4 monolayer sheet investigated by the first-principles
- (2015) Linwei Ruan et al. MATERIALS RESEARCH BULLETIN
- Nitrogenated holey two-dimensional structures
- (2015) Javeed Mahmood et al. Nature Communications
- Triazine-Based Graphitic Carbon Nitride: a Two-Dimensional Semiconductor
- (2014) Gerardo Algara-Siller et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A fantastic graphitic carbon nitride (g-C3N4) material: Electronic structure, photocatalytic and photoelectronic properties
- (2014) Guoping Dong et al. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS
- Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material
- (2014) Gang Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Lithium-doped triazine-based graphitic C3N4 sheet for hydrogen storage at ambient temperature
- (2013) Guizhi Zhu et al. COMPUTATIONAL MATERIALS SCIENCE
- Theoretical prediction of hydrogen storage on Li-decorated boron nitride atomic chains
- (2013) Yusheng Wang et al. JOURNAL OF APPLIED PHYSICS
- Functionalized Graphitic Carbon Nitride for Efficient Energy Storage
- (2013) Menghao Wu et al. Journal of Physical Chemistry C
- Strong excitonic effects in the optical properties of graphitic carbon nitrideg-C3N4from first principles
- (2013) Wei Wei et al. PHYSICAL REVIEW B
- Boron–nitrogen–hydrogen (BNH) compounds: recent developments in hydrogen storage, applications in hydrogenation and catalysis, and new syntheses
- (2012) Zhenguo Huang et al. Energy & Environmental Science
- Energy storage in residential and commercial buildings via Liquid Organic Hydrogen Carriers (LOHC)
- (2012) Daniel Teichmann et al. Energy & Environmental Science
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- 1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity
- (2011) Wei Luo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A Single-Component Liquid-Phase Hydrogen Storage Material
- (2011) Wei Luo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Hydrogen Storage by Boron−Nitrogen Heterocycles: A Simple Route for Spent Fuel Regeneration
- (2010) Patrick G. Campbell et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Potential of AlN Nanostructures as Hydrogen Storage Materials
- (2009) Qian Wang et al. ACS Nano
- Interaction between hydrogen molecules and metallofullerenes
- (2009) Mina Yoon et al. JOURNAL OF CHEMICAL PHYSICS
- New template for metal decoration and hydrogen adsorption on graphene-like C3N4
- (2009) Yi Zhang et al. PHYSICS LETTERS A
- New approaches to hydrogen storage
- (2008) Jason Graetz CHEMICAL SOCIETY REVIEWS
- Graphitic carbon nitride materials: variation of structure and morphology and their use as metal-free catalysts
- (2008) Arne Thomas et al. JOURNAL OF MATERIALS CHEMISTRY
- Hydrogen Adsorption in a Highly Stable Porous Rare-Earth Metal-Organic Framework: Sorption Properties and Neutron Diffraction Studies
- (2008) Junhua Luo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- From Triazines to Heptazines: Deciphering the Local Structure of Amorphous Nitrogen-Rich Carbon Nitride Materials
- (2008) James R. Holst et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
- (2008) Jeng-Da Chai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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