First-principles DFT insights into the adsorption of hydrazine on bimetallic β1-NiZn catalyst: Implications for direct hydrazine fuel cells

First-Principles Insights into the Interface Chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) Nanoparticles

(2020) Nelson Y. Dzade   ACS Omega

In situ grown nanosheet Ni Zn alloy on Ni foam for high performance hydrazine electrooxidation

(2019) Zhongbao Feng et al.   ELECTROCHIMICA ACTA

Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study

(2019) Elliot S. Menkah et al.   APPLIED SURFACE SCIENCE

A 3D porous Ni-Zn/RGO catalyst with superaerophobic surface for high-performance hydrazine electrooxidation

(2019) Zhongbao Feng et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Hydrodeoxygenation of guaiacol over bimetallic Fe-alloyed (Ni, Pt) surfaces: reaction mechanism, transition-state scaling relations and descriptor for predicting C–O bond scission reactivity

(2018) Xiaoyang Liu et al.   Catalysis Science & Technology

Structures and Properties of As(OH)3 Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

(2017) Nelson Y. Dzade et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

(2017) Nelson Y. Dzade et al.   Journal of Physical Chemistry C

Periodic DFT+U investigation of the bulk and surface properties of marcasite (FeS2)

(2017) Nelson Y. Dzade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ni−Zn Alloy Nanosheets Arrayed on Nickel Foamas a Promising Catalyst for Electrooxidation of Hydrazine

(2017) Lin-Song Wu et al.   ChemElectroChem

Highly active and selective nickel molybdenum catalysts for direct hydrazine fuel cell

(2016) Tristan Asset et al.   ELECTROCHIMICA ACTA

Ni-based bimetallic heterogeneous catalysts for energy and environmental applications

(2016) Sudipta De et al.   Energy & Environmental Science

A 3D porous Ni–Cu alloy film for high-performance hydrazine electrooxidation

(2016) Ming Sun et al.   Nanoscale

Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study

(2016) N. Y. Dzade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nickel–platinum nanoparticles immobilized on graphitic carbon nitride as highly efficient catalyst for hydrogen release from hydrous hydrazine

(2016) Lixin Xu et al.   RSC Advances

Operando XAFS study of carbon supported Ni, NiZn, and Co catalysts for hydrazine electrooxidation for use in anion exchange membrane fuel cells

(2015) Tomokazu Sakamoto et al.   ELECTROCHIMICA ACTA

A mini-review on anion exchange membranes for fuel cell applications: Stability issue and addressing strategies

(2015) Jie Cheng et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First-Principles Investigation of the Molecular Adsorption and Dissociation of Hydrazine on Ni–Fe Alloy Surfaces

(2015) Yan-Bin He et al.   Journal of Physical Chemistry C

Hydrazine network on Cu(111) surface: A Density Functional Theory approach

(2015) Saeedeh S. Tafreshi et al.   SURFACE SCIENCE

Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces

(2014) Wei Liu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Anode Catalysts for Direct Hydrazine Fuel Cells: From Laboratory Test to an Electric Vehicle

(2014) Alexey Serov et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers

(2014) Federico Calle-Vallejo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces

(2014) Pedro O. Bedolla et al.   Journal of Physical Chemistry C

Structural and catalytic properties of supported Ni–Ir alloy catalysts for H2 generation via hydrous hydrazine decomposition

(2013) Lei He et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Dendrimer-Encapsulated Bimetallic Pt-Ni Nanoparticles as Highly Efficient Catalysts for Hydrogen Generation from Chemical Hydrogen Storage Materials

(2013) Kengo Aranishi et al.   ChemCatChem

Adsorption of methylamine on mackinawite (FES) surfaces: A density functional theory study

(2013) N. Y. Dzade et al.   JOURNAL OF CHEMICAL PHYSICS

Combinatorial discovery of Ni-based binary and ternary catalysts for hydrazine electrooxidation for use in anion exchange membrane fuel cells

(2013) Tomokazu Sakamoto et al.   JOURNAL OF POWER SOURCES

Mechanistic insight into the hydrazine decomposition on Rh(111): effect of reaction intermediate on catalytic activity

(2013) Zhigang Deng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Overview on fuel cells

(2013) Umberto Lucia   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study

(2013) Saeedeh S. Tafreshi et al.   SURFACE SCIENCE

Rhodium–nickel nanoparticles grown on graphene as highly efficient catalyst for complete decomposition of hydrous hydrazine at room temperature for chemical hydrogen storage

(2012) Jun Wang et al.   Energy & Environmental Science

Fundamental studies on direct ammonia fuel cell employing anion exchange membrane

(2012) Shohei Suzuki et al.   JOURNAL OF POWER SOURCES

First principles investigations of hydrazine adsorption conformations on Ni(111) surface

(2012) Mohammad Kemal Agusta et al.   SURFACE SCIENCE

Carbon-free energy: a review of ammonia- and hydrazine-based electrochemical fuel cells

(2011) Neil V. Rees et al.   Energy & Environmental Science

Noble Metal-Free Hydrazine Fuel Cell Catalysts: EPOC Effect in Competing Chemical and Electrochemical Reaction Pathways

(2011) Jean Sanabria-Chinchilla et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Theoretical study of hydrazine adsorption on Pt(111): Anti or cis?

(2011) Mohammad Kemal Agusta et al.   SURFACE SCIENCE

Bimetallic nickel-iridium nanocatalysts for hydrogen generation by decomposition of hydrous hydrazine

(2010) Sanjay Kumar Singh et al.   CHEMICAL COMMUNICATIONS

Bimetallic Ni−Pt Nanocatalysts for Selective Decomposition of Hydrazine in Aqueous Solution to Hydrogen at Room Temperature for Chemical Hydrogen Storage

(2010) Sanjay K. Singh et al.   INORGANIC CHEMISTRY

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

Interaction of water with a metal surface: Importance of van der Waals forces

(2010) Ikutaro Hamada et al.   PHYSICAL REVIEW B

Hydrazine (N2H4) adsorption on Ni(100) – Density functional theory investigation

(2009) Mohammad Kemal Agusta et al.   SURFACE SCIENCE

Effects of NaOH addition on performance of the direct hydrazine fuel cell

(2008) Wen Xia Yin et al.   JOURNAL OF POWER SOURCES