Hydrogen dissociation in Li-decorated borophene and borophene hydride: An ab-initio study

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

(2021) I. Cabria et al.   APPLIED SURFACE SCIENCE

Strain and defect engineering of graphene for hydrogen storage via atomistic modelling

(2021) Deepak Kag et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide

(2021) Parsa Habibi et al.   ACS Applied Materials & Interfaces

Blue phosphorene nanosheets with point defects: Electronic structure and hydrogen storage capability

(2021) Daughty John et al.   APPLIED SURFACE SCIENCE

Borophene with Large Holes

(2020) Yong Wang et al.   Journal of Physical Chemistry Letters

Novel Ti-decorated borophene χ3 as potential high-performance for hydrogen storage medium

(2020) T.Z. Wen et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Li-decorated porous hydrogen substituted graphyne: A new member of promising hydrogen storage medium

(2020) Yanan Zhang et al.   APPLIED SURFACE SCIENCE

Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study

(2020) Gagus Ketut Sunnardianto et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Borophene Synthesis on Au(111)

(2019) Brian Kiraly et al.   ACS Nano

Review of borophene and its potential applications

(2019) Zhi-Qiang Wang et al.   Frontiers of Physics

Charge-controlled switchable H2 storage on conductive borophene nanosheet

(2019) Xiaofang Li et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Lithium and sodium decorated graphdiyne as a candidate for hydrogen storage: First-principles and grand canonical Monte Carlo study

(2019) Yunhui Wang et al.   APPLIED SURFACE SCIENCE

Photoinduced hydrogen release from hydrogen boride sheets

(2019) Reiya Kawamura et al.   Nature Communications

Enhanced Hydrogen Storage Properties and Reversibility of LiBH4 Confined in Two-Dimensional Ti3C2

(2018) Lei Zang et al.   ACS Applied Materials & Interfaces

First-principles investigation on hydrogen storage performance of Li, Na and K decorated borophene

(2018) Lifuzi Wang et al.   APPLIED SURFACE SCIENCE

iRASPA: GPU-accelerated visualization software for materials scientists

(2018) David Dubbeldam et al.   MOLECULAR SIMULATION

A theoretical insight into a feasible strategy for the fabrication of borophane

(2018) Gangqiang Qin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen storage in Li, Na and Ca decorated and defective borophene: a first principles study

(2018) Sandip Haldar et al.   RSC Advances

Experimental realization of honeycomb borophene

(2018) Wenbin Li et al.   Science Bulletin

Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties

(2018) Bohayra Mortazavi et al.   Nanoscale

Borophene's tryst with stability: exploring 2D hydrogen boride as an electrode for rechargeable batteries

(2018) Vivekanand Shukla et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nanostructured Metal Hydrides for Hydrogen Storage

(2018) Andreas Schneemann et al.   CHEMICAL REVIEWS

Strain-induced switch for hydrogen storage in cobalt-decorated nitrogen-doped graphene

(2018) Xiongyi Liang et al.   APPLIED SURFACE SCIENCE

Current research trends and perspectives on materials-based hydrogen storage solutions: A critical review

(2017) Jianwei Ren et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Is borophene a suitable anode material for sodium ion battery?

(2017) Pei Liang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Formation Mechanism of Boron-Based Nanosheet through the Reaction of MgB2 with Water

(2017) Hiroaki Nishino et al.   Journal of Physical Chemistry C

First-Principles Study on the Mechanism of Hydrogen Decomposition and Spillover on Borophene

(2017) Xianfei Chen et al.   Journal of Physical Chemistry C

Ultra-high capacity hydrogen storage in a Li decorated two-dimensional C2N layer

(2017) Arqum Hashmi et al.   Journal of Materials Chemistry A

Stability and strength of atomically thin borophene from first principles calculations

(2017) Bo Peng et al.   Materials Research Letters

Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage

(2016) Xin Tan et al.   ACS Applied Materials & Interfaces

Study of 2D MXene Cr 2 C material for hydrogen storage using density functional theory

(2016) A. Yadav et al.   APPLIED SURFACE SCIENCE

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

(2015) A. J. Mannix et al.   SCIENCE

Understanding the Role of Few-Layer Graphene Nanosheets in Enhancing the Hydrogen Sorption Kinetics of Magnesium Hydride

(2014) Guang Liu et al.   ACS Applied Materials & Interfaces

Review of hydrogen storage techniques for on board vehicle applications

(2013) D.J. Durbin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Influence of Graphene Curvature on Hydrogen Adsorption: Toward Hydrogen Storage Devices

(2013) Sarah Goler et al.   Journal of Physical Chemistry C

Feasibility of Lithium Storage on Graphene and Its Derivatives

(2013) Yuanyue Liu et al.   Journal of Physical Chemistry Letters

Modification of graphene as active hydrogen storage medium by strain engineering

(2012) V.J. Surya et al.   COMPUTATIONAL MATERIALS SCIENCE

Prospects for hydrogen storage in graphene

(2012) Valentina Tozzini et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate and efficient algorithm for Bader charge integration

(2011) Min Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers

(2011) Valentina Tozzini et al.   Journal of Physical Chemistry C

Materials for Hydrogen Storage: Past, Present, and Future

(2011) Puru Jena   Journal of Physical Chemistry Letters

Charging-assisted hydrogen release mechanism in layered boron hydride

(2011) Tesfaye A. Abtew et al.   PHYSICAL REVIEW B

Prediction of a multicenter-bonded solid boron hydride for hydrogen storage

(2011) Tesfaye A. Abtew et al.   PHYSICAL REVIEW B

Study of heat transfer and kinetics parameters influencing the design of heat exchangers for hydrogen storage in high-pressure metal hydrides

(2010) Milan Visaria et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Tuning the Hydrogen Storage in Magnesium Alloys

(2010) Süleyman Er et al.   Journal of Physical Chemistry Letters

Chemical and Physical Solutions for Hydrogen Storage

(2009) Ulrich Eberle et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DFT Study of Planar Boron Sheets: A New Template for Hydrogen Storage

(2009) Süleyman Er et al.   Journal of Physical Chemistry C

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS