Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Breaking scaling relationships in alkynol semi-hydrogenation by manipulating interstitial atoms in P

Journal Article · · Nat. Commun.
Research Organization:
Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
Sponsoring Organization:
DOE - Office Of Science; FOREIGN
OSTI ID:
1901063
Journal Information:
Nat. Commun., Journal Name: Nat. Commun. Vol. 13
Country of Publication:
United States
Language:
ENGLISH

References (61)

Semihydrogenation of a propargylic alcohol over highly active amorphous Pd81Si19 in “supercritical” carbon dioxide journal January 2002
White lines in x-ray absorption journal January 1977
Study on carbon deposition associated with catalytic CH4 reforming by using density functional theory journal November 2013
In situ surface characterization of the intermetallic compound PdGa – A highly selective hydrogenation catalyst journal June 2009
Particle Size Effect of Hydride Formation and Surface Hydrogen Adsorption of Nanosized Palladium Catalysts: L 3 Edge vs K Edge X-ray Absorption Spectroscopy journal July 2009
Kinetic study of selective hydrogenation of 2-methyl-3-butyn-2-ol over Pd-containing hypercrosslinked polystyrene journal November 2015
Enthalpy–Entropy Compensation (EEC) Effect: A Revisit journal December 2015
Special points for Brillouin-zone integrations journal June 1976
Tailoring the framework composition of carbon nitride to improve the catalytic efficiency of the stabilised palladium atoms journal January 2017
Optimizing Alkyne Hydrogenation Performance of Pd on Carbon in Situ Decorated with Oxygen-Deficient TiO2 by Integrating the Reaction and Diffusion journal October 2019
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Activation entropy and electronic properties of metal catalysts journal January 1968
Selective ensembles in supported palladium sulfide nanoparticles for alkyne semi-hydrogenation journal July 2018
The role of heterogeneity in the kinetics of a surface reactionIII. Distributions in activation enthalpy and entropy journal June 1976
Enthalpy–Entropy Compensation (EEC) Effect: Decisive Role of Free Energy journal September 2016
Mechanistic and kinetic insights into the Pt-Ru synergy during hydrogen generation from ammonia borane over PtRu/CNT nanocatalysts journal December 2017
Discovery that quinoline and triphenylphosphine alter the electronic properties of hydrogenation catalysts journal January 1998
Selective Hydrogenation of Acetylene over Pd–Boron Catalysts: A Density Functional Theory Study journal February 2014
Optimising surface d charge of AuPd nanoalloy catalysts for enhanced catalytic activity journal March 2019
CVD-Grown Horizontally Aligned Single-Walled Carbon Nanotubes: Synthesis Routes and Growth Mechanisms journal May 2012
Poison Tolerance to the Selective Hydrogenation of Cinnamaldehyde in Water over an Ordered Mesoporous Carbonaceous Composite Supported Pd Catalyst journal February 2017
The Roles of Subsurface Carbon and Hydrogen in Palladium-Catalyzed Alkyne Hydrogenation journal April 2008
Thiol Treatment Creates Selective Palladium Catalysts for Semihydrogenation of Internal Alkynes journal May 2018
Contribution of Interstitial Boron in a Boron-Incorporated Palladium Catalyst Toward Formate Oxidation in an Alkaline Direct Formate Fuel Cell journal April 2021
Catalytic Consequences of the Thermodynamic Activities at Metal Cluster Surfaces and Their Periodic Reactivity Trend for Methanol Oxidation journal September 2014
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
Interstitial Boron Atoms in the Palladium Lattice of an Industrial Type of Nanocatalyst: Properties and Structural Modifications journal November 2019
In situ detection of hydrogen-induced phase transitions in individual palladium nanocrystals journal September 2014
Interstitial modification of palladium nanoparticles with boron atoms as a green catalyst for selective hydrogenation journal December 2014
Influence of Sb on the Structure and Performance of Pd-Based Catalysts: An X-ray Spectroscopic Study journal February 2017
Hybrid Palladium Nanoparticles for Direct Hydrogen Peroxide Synthesis: The Key Role of the Ligand journal December 2016
Theoretical Modelling and Facile Synthesis of a Highly Active Boron-Doped Palladium Catalyst for the Oxygen Reduction Reaction journal April 2016
Prominent Electronic and Geometric Modifications of Palladium Nanoparticles by Polymer Stabilizers for Hydrogen Production under Ambient Conditions journal September 2012
PdZn intermetallic on a CN@ZnO hybrid as an efficient catalyst for the semihydrogenation of alkynols journal June 2017
Strong evidence of solution-phase catalysis associated with palladium leaching from immobilized thiols during Heck and Suzuki coupling of aryl iodides, bromides, and chlorides journal October 2007
Kinetic Isotope Effects in the Study of Organometallic Reaction Mechanisms journal August 2011
Mercaptopropyl-Modified Mesoporous Silica:  A Remarkable Support for the Preparation of a Reusable, Heterogeneous Palladium Catalyst for Coupling Reactions journal July 2005
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111) journal January 2006
Catalytically active highly metallic palladium on carbon support for oxidation of HCOO − journal October 2017
Hydrogen production from formic acid decomposition at room temperature using a Ag–Pd core–shell nanocatalyst journal April 2011
Generalized Gradient Approximation Made Simple journal October 1996
Tilt the Molecule and Change the Chemistry: Mechanism of S-Promoted Chemoselective Catalytic Hydrogenation of Crotonaldehyde on Cu(111) journal November 2006
Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene journal June 2008
Inherent Size Effects on XANES of Nanometer Metal Clusters: Size-Selected Platinum Clusters on Silica journal December 2016
Performance of shape-controlled Pd nanoparticles in the selective hydrogenation of acetylene journal October 2013
Highly selective semi-hydrogenation of alkynes with a Pd nanocatalyst modified with sulfide-based solid-phase ligands journal April 2021
Pressure and Temperature Effects on the Formation of a Pd/C Surface Carbide: Insights into the Role of Pd/C as a Selective Catalytic State for the Partial Hydrogenation of Acetylene journal May 2013
Catalysis in the industrial preparation of vitamins and nutraceuticals journal March 2007
Effects of d -band shape on the surface reactivity of transition-metal alloys journal March 2014
Tuning the catalytic performance for the semi-hydrogenation of alkynols by selectively poisoning the active sites of Pd catalysts journal January 2019
Edge sites as a gate for subsurface carbon in palladium nanoparticles journal August 2009
Adsorption and decomposition of H2S on Pd(111) surface: a first-principles study journal January 2005
Amplified Interfacial Effect in an Atomically Dispersed RuO x ‐on‐Pd 2D Inverse Nanocatalyst for High‐Performance Oxygen Reduction journal June 2021
Influence of Sn additives on the selectivity of hydrogenation of α-β-unsaturated aldehydes with Pt catalysts: a density functional study of molecular adsorption journal November 2003
Strategies to break linear scaling relationships journal October 2019
Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study journal September 2013
An Evaluation of Harmonic Vibrational Frequency Scale Factors journal November 2007
Carrier‐Induced Modification of Palladium Nanoparticles on Porous Boron Nitride for Alkyne Semi‐Hydrogenation journal August 2020
Chemoselective Hydrogenation of Nitroaromatics at the Nanoscale Iron(III)–OH–Platinum Interface journal May 2020
On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene journal October 2008

Similar Records

Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys
Journal Article · 2018 · Journal of Physical Chemistry Letters · OSTI ID:1539339

Breaking the scaling relationship via thermally stable Pt/Cu single atom alloys for catalytic dehydrogenation
Journal Article · 2018 · Nature Communications · OSTI ID:1480621

Related Subjects