Theoretical insights on the development of a 55–77 graphene sheet by embedding Agn=1-4 and Pdn=1-4 metal nanoclusters for efficient CO2 capture

Adsorption of Transition-Metal Clusters on Graphene and N-Doped Graphene: A DFT Study

(2022) Chengkai Jin et al.   LANGMUIR

The role of surface and structural functionalisation on graphene adsorbent nanomaterial for CO2 adsorption application: Recent progress and future prospects

(2022) A.H. Ruhaimi et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Selective membrane separation of CO2 using novel epichlorohydrin-amine-based crosslinked protic ionic liquids: Crosslinking mechanism and enhanced salting-out effect

(2021) Zhuoheng Tu et al.   Journal of CO2 Utilization

Enhancing gas sensing properties of novel palladium-decorated zinc oxide surface: a first-principles study

(2021) Monrudee Liangruksa et al.   Materials Research Express

Theoretical Investigation of Carbon Dioxide Adsorption on Li+-Decorated Nanoflakes

(2021) Igor K. Petrushenko et al.   MOLECULES

Adsorption of CO2 gas on graphene–polymer composites

(2019) Giulia Magi Meconi et al.   Journal of CO2 Utilization

Influence of the surface decoration of phosphorene with Ag nanoclusters on gas sensing properties

(2019) Mingyuan Wang et al.   APPLIED SURFACE SCIENCE

Reconnoitring the nature of interaction and effect of electric field on Pd/Pt/Ni decorated 5-8-5/55–77 defected graphene sheet for hydrogen storage

(2019) R. Akilan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A first-principles study on the interaction of biogas with noble metal (Rh, Pt, Pd) decorated nitrogen doped graphene as a gas sensor: A DFT study

(2018) Chunjiang Zhao et al.   APPLIED SURFACE SCIENCE

A dispersion-corrected DFT investigation of CH4 adsorption by silver-decorated monolayer graphene in the presence of ambient oxygen molecules

(2018) R. Ghanbari et al.   APPLIED SURFACE SCIENCE

Adsorption behavior of CO 2 on pristine and doped phosphorenes: A dispersion corrected DFT study

(2018) Hong-ping Zhang et al.   Journal of CO2 Utilization

Modeling of 2-D hydrogen-edge capped defected & boron-doped defected graphene sheets for the adsorption of CO2, SO2 towards energy harvesting applications

(2018) R. Akilan et al.   APPLIED SURFACE SCIENCE

Stable structures and potential energy surface of the metallic clusters: Ni, Cu, Ag, Au, Pd, and Pt

(2017) Xia Wu et al.   JOURNAL OF NANOPARTICLE RESEARCH

Layered Double Hydroxides/Multiwalled Carbon Nanotubes-Based Composite for High-Temperature CO2 Adsorption

(2016) Lakshminarayana Kudinalli Gopalakri Bhatta et al.   ENERGY & FUELS

First principles calculations of hydrogen storage on Cu and Pd-decorated graphene

(2016) Aditya Choudhary et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Carbon dioxide gas detection by open metal site metal organic frameworks and surface functionalized metal organic frameworks

(2016) Venkateswarlu Pentyala et al.   SENSORS AND ACTUATORS B-CHEMICAL

Surface-modified spherical activated carbon materials for pre-combustion carbon dioxide capture

(2015) Nannan Sun et al.   RSC Advances

Electron density analysis of 1-butyl-3-methylimidazolium chloride ionic liquid

(2014) Lourdes del Olmo et al.   JOURNAL OF MOLECULAR MODELING

Computational Study on the Interaction of Modified Nucleobases with Graphene and Doped Graphenes

(2014) S. K. Mudedla et al.   Journal of Physical Chemistry C

Noble Metal Clusters: Applications in Energy, Environment, and Biology

(2014) Ammu Mathew et al.   PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION

Post-Combustion CO2Capture by Vacuum Swing Adsorption Using Zeolites – a Feasibility Study

(2013) G. D. Pirngruber et al.   Oil & Gas Science and Technology-Revue d IFP Energies nouvelles

Preparation and characterization of aminated graphite oxide for CO2 capture

(2012) Yunxia Zhao et al.   APPLIED SURFACE SCIENCE

Sub-nanometre sized metal clusters: from synthetic challenges to the unique property discoveries

(2012) Yizhong Lu et al.   CHEMICAL SOCIETY REVIEWS

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

CO2 adsorption by activated templated carbons

(2011) Marta Sevilla et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Natural bond orbital methods

(2011) Eric D. Glendening et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal clusters and nanoparticles

(2010) G. Schmid et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Characterization Factors for Global Warming in Life Cycle Assessment Based on Damages to Humans and Ecosystems

(2009) An M. De Schryver et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY