Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach

Intriguing electronic properties of two-dimensional MoS2/TM2CO2(TM = Ti, Zr, or Hf) hetero-bilayers: type-II semiconductors with tunable band gaps

(2015) Xinru Li et al.   NANOTECHNOLOGY

Towards the ionic limit of two-dimensional materials: monolayer alkaline earth and transition metal halides

(2014) Shi-Hsin Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Lithium Adsorption on Hexagonal Boron Nitride Nanosheet Using Dispersion-Corrected Density Functional Theory Calculations

(2013) Yubin Hwang et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

MXene: A New Family of Promising Hydrogen Storage Medium

(2013) Qianku Hu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Charge-Controlled Switchable CO2 Capture on Boron Nitride Nanomaterials

(2013) Qiao Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Controllable Disorder Engineering in Oxygen-Incorporated MoS2 Ultrathin Nanosheets for Efficient Hydrogen Evolution

(2013) Junfeng Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of MoS2 and MoSe2 Films with Vertically Aligned Layers

(2013) Desheng Kong et al.   NANO LETTERS

MoSe2 and WSe2 Nanofilms with Vertically Aligned Molecular Layers on Curved and Rough Surfaces

(2013) Haotian Wang et al.   NANO LETTERS

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Electrochemical tuning of vertically aligned MoS2 nanofilms and its application in improving hydrogen evolution reaction

(2013) H. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Synthesis of MoS2and MoO2for their applications in H2generation and lithium ion batteries: a review

(2013) Yufei Zhao et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Hydrogen storage in polylithiated BC3 monolayer sheet

(2013) Yunguo Li et al.   SOLID STATE COMMUNICATIONS

Li-doped BC3 sheet for high-capacity hydrogen storage

(2012) Zailin Yang et al.   APPLIED PHYSICS LETTERS

Metal decorated monolayer BC2N for hydrogen storage

(2012) Yu Sheng Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Emerging concepts in solid-state hydrogen storage: the role of nanomaterials design

(2012) Hazel Reardon et al.   Energy & Environmental Science

Hydrogen evolution catalyzed by MoS3 and MoS2 particles

(2012) Heron Vrubel et al.   Energy & Environmental Science

Lithium-decorated oxidized porous graphene for hydrogen storage by first principles study

(2012) Shi-han Huang et al.   JOURNAL OF APPLIED PHYSICS

Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure

(2012) C. Ataca et al.   Journal of Physical Chemistry C

Enhanced Li Adsorption and Diffusion on MoS2 Zigzag Nanoribbons by Edge Effects: A Computational Study

(2012) Yafei Li et al.   Journal of Physical Chemistry Letters

How does the boron concentration affect hydrogen storage in lithium decorated zero- and two-dimensional boron–carbon compounds?

(2012) Xiao-Juan Ye et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-pressure ionic and molecular phases of ammonia within density functional theory

(2012) Gareth I. G. Griffiths et al.   PHYSICAL REVIEW B

Molecular adsorption on metal surfaces with van der Waals density functionals

(2012) Guo Li et al.   PHYSICAL REVIEW B

Ca intercalated bilayer graphene as a thinnest limit of superconducting C6Ca

(2012) K. Kanetani et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Progress on first-principles-based materials design for hydrogen storage

(2012) N. Park et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electronic structure of a single MoS2 monolayer

(2012) Eugene S. Kadantsev et al.   SOLID STATE COMMUNICATIONS

Materials-based hydrogen storage: Attributes for near-term, early market PEM fuel cells

(2011) Scott McWhorter et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Ab initio study of lithium-doped graphane for hydrogen storage

(2011) Tanveer Hussain et al.   EPL

DFT Study of Hydrogen Storage by Spillover on Graphene with Boron Substitution

(2011) Hong-Yu Wu et al.   Journal of Physical Chemistry C

High Capacity Hydrogen Storage in Ca Decorated Graphyne: A First-Principles Study

(2011) Chong Li et al.   Journal of Physical Chemistry C

Anti-Kubas Type Interaction in Hydrogen Storage on a Li Decorated BHNH Sheet: A First-Principles Based Study

(2011) S. Bhattacharya et al.   Journal of Physical Chemistry C

Graphene adhesion on MoS2 monolayer: An ab initio study

(2011) Yandong Ma et al.   Nanoscale

First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

(2011) Yi Ding et al.   PHYSICA B-CONDENSED MATTER

Hydrogen storage in graphene decorated with Pd and Pt nano-particles using an electroless deposition technique

(2011) Chen-Chia Huang et al.   SEPARATION AND PURIFICATION TECHNOLOGY

High hydrogen-storage capacity of B-adsorbed graphene: First-principles calculation

(2011) Jianfu Li et al.   SOLID STATE COMMUNICATIONS

Hydrogen storage of beryllium adsorbed on graphene doping with boron: First-principles calculations

(2011) Daoyong Li et al.   SOLID STATE COMMUNICATIONS

A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage

(2010) Elham Beheshti et al.   CARBON

Hydrogen storage in Al and Ti dispersed on graphene with boron substitution: First-principles calculations

(2010) Hong-Lae Park et al.   COMPUTATIONAL MATERIALS SCIENCE

Hydrogen storage in Li and Ti decorated borazine: A first-principles study

(2010) Meng Li et al.   JOURNAL OF APPLIED PHYSICS

Atomically ThinMoS2: A New Direct-Gap Semiconductor

(2010) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials

(2009) H. Y. Wu et al.   CHEMICAL COMMUNICATIONS

Chemical engineering of prehydrogenated C and BN-sheets by Li: Application in hydrogen storage

(2009) Mohammad Khazaei et al.   JOURNAL OF APPLIED PHYSICS

The effect of Co-promotion on MoS2 catalysts for hydrodesulfurization of thiophene: A density functional study

(2009) Poul Georg Moses et al.   JOURNAL OF CATALYSIS

DFT Study of the Hydrogen Spillover Mechanism on Pt-Doped Graphite

(2009) George M. Psofogiannakis et al.   Journal of Physical Chemistry C

Electronic structure of two-dimensional crystals fromab initiotheory

(2009) S. Lebègue et al.   PHYSICAL REVIEW B

High-capacity hydrogen storage by metallized graphene

(2008) C. Ataca et al.   APPLIED PHYSICS LETTERS

Materials for hydrogenstorage: current research trends and perspectives

(2008) Annemieke W. C. van den Berg et al.   CHEMICAL COMMUNICATIONS

Hydrogen evolution on nano-particulate transition metal sulfides

(2008) Jacob Bonde et al.   FARADAY DISCUSSIONS

Structures at high pressure from random searching

(2008) C. J. Pickard et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS