Computational evaluation of superalkali-decorated graphene nanoribbon as advanced hydrogen storage materials

Superalkali NLi4 anchored on BN sheets for reversible hydrogen storage

(2021) Xiang Wang et al.   APPLIED PHYSICS LETTERS

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

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

First-principles study of the electronic structure and transport properties of armchair graphene nanoribbons with adsorbed super-halogen LiF2 and super-alkali Li3 clusters

(2020) Yuanhang Ma et al.   PHYSICS LETTERS 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

Superalkali NM4 (M = Li, Na, K): Stabilities and electronic structures

(2019) Zhaoyan Zhang et al.   PHYSICS LETTERS A

Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

(2018) Puru Jena et al.   CHEMICAL REVIEWS

Rational design of super-alkalis and their role in CO2activation

(2017) Tianshan Zhao et al.   Nanoscale

Structural Diversity and Electron Confinement in Li4N: Potential for 0-D, 2-D, and 3-D Electrides

(2016) Yuta Tsuji et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Super-ion inspired colorful hybrid perovskite solar cells

(2016) Hong Fang et al.   Journal of Materials Chemistry A

Unusual stability of multiply charged organo-metallic complexes

(2015) Santanab Giri et al.   RSC Advances

Aromatic Superhalogens

(2014) Brandon Z. Child et al.   CHEMISTRY-A EUROPEAN JOURNAL

Organic Superhalogens

(2014) Santanab Giri et al.   CHEMPHYSCHEM

On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties

(2014) Wei-Ming Sun et al.   INORGANIC CHEMISTRY

Enhancement of hydrogen binding affinity with low ionization energy Li 2 F coating on C 60 to improve hydrogen storage capacity

(2014) Kan Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells

(2013) Jun Hong Noh et al.   NANO LETTERS

Prediction and characterization of novel polynuclear superalkali cations

(2012) Jing Tong et al.   DALTON TRANSACTIONS

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

The hydrogen trapping potential of some Li-doped star-like clusters and super-alkali systems

(2012) Sudip Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

In situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N

(2011) Daniel J. Bull et al.   FARADAY DISCUSSIONS

Cluster-Assembled Materials: Toward Nanomaterials with Precise Control over Properties

(2009) Meichun Qian et al.   ACS Nano