DR. Martin Peter Andersson
Program Leader; Research Scientist I
CIPR
martin.andersson@kfupm.edu.saTransformation of pyridine to α-pyridyl on W(110) as probed by vibrational spectroscopy:: Experiments and calculations
DOI: 10.1021/jp010475s
The vibrational spectra of methyl groups in methylthiolate and methoxy adsorbed on Cu(100)
DOI: 10.1021/la011249c
Fundamental, binary combination, and overtone modes in methoxy adsorbed on Cu(100): Infrared spectroscopy and ab initio calculations
DOI: 10.1021/jp012939s
Li insertion in thin film anatase TiO<sub>2</sub>:: identification of a two-phase regime with photoelectron spectroscopy
Titanium dioxide thin-film growth on silicon (111) by chemical vapor deposition of titanium(IV) isopropoxide
DOI: 10.1063/1.1501751
Surface chemistry of TiCl<sub>4</sub> on clean and hydrogen modified W(110):: identification of surface intermediates
First-Principle Calculations of the Experimental Vibrational Spectrum of a Surface Adsorbate: Anharmonic Resonance Coupling between Fundamental and Binary Modes
Metalorganic chemical vapor deposition of anatase titanium dioxide on Si: Modifying the interface by pre-oxidation
The adsorption site of methoxy and ethoxy on Cu(100) as determined by vibrational spectroscopy and first principle calculations
Adsorption and Charge-Transfer Study of Bi-isonicotinic Acid on In Situ-Grown Anatase TiO2 Nanoparticles
DOI: 10.1021/jp0344491
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-ζ basis Set 6-311+G(d,p)
DOI: 10.1021/jp045733a
UHV-MOCVD growth of TiO2 on SiOx/Si(1 1 1): Interfacial properties reflected in the Si 2p photoemission spectra
Electronic structure of lithium-doped anatase TiO2 prepared in ultrahigh vacuum
Phase separation and charge localization in UHV-lithiated anatase TiO2 nanoparticles
Surface-induced C-O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations
DOI: 10.1063/1.2125587
Electronic-structure-based design of ordered alloys
DOI: 10.1557/mrs2006.225
Toward computational screening in heterogeneous catalysis: Pareto-optimal methanation catalysts
Carbide induced reconstruction of monatomic steps on Ni(1 1 1) - A density functional study
CO adsorption energies on metals with correction for high coordination adsorption sites - A density functional study
Structure sensitivity of the methanation reaction: H2-induced CO dissociation on nickel surfaces
First principles calculations and experimental insight into methane steam reforming over transition metal catalysts
Sensitivity analysis of cluster models for calculating adsorption energies for organic molecules on mineral surfaces
DOI: 10.1021/jp1121189
TiO2 chemical vapor deposition on Si(111) in ultrahigh vacuum: Transition from interfacial phase to crystalline phase in the reaction limited regime
Inducing H/D exchange in ultrathin ice films by proton deficiency
How acidic is water on calcite?
DOI: 10.1021/jp304671k
High surface area calcite
Energies of the adsorption of functional groups to calcium carbonate polymorphs: The importance of -OH and -COOH groups
DOI: 10.1021/la402305x
Predicting pKa for proteins using COSMO-RS
DOI: 10.7717/peerj.198
Surface tension alteration on calcite, induced by ion substitution
DOI: 10.1021/jp411151u
Direct observation of ionic structure at solid-liquid interfaces: A deep look into the Stern Layer
DOI: 10.1038/srep04956
Strontium, nickel, cadmium, and lead substitution into calcite, studied by density functional theory
DOI: 10.1021/la500832u
Predicting the p K a and stability of organic acids and bases at an oil-water interface
DOI: 10.1021/la5008318
First-principles prediction of liquid/liquid interfacial tension
DOI: 10.1021/ct500266z
How naturally adsorbed material on minerals affects low salinity enhanced oil recovery
DOI: 10.1021/ef500218x
Incorporation of monovalent cations in sulfate green rust
DOI: 10.1021/ic500495a
Predicting hydration energies for multivalent ions
DOI: 10.1002/jcc.23733
Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths-do we observe the mineral surface?
DOI: 10.1021/jp5053858
Adhesion of alkane as a functional group on muscovite and quartz: Dependence on pH and contact time
DOI: 10.1021/la5024967
The effect of ionic strength on oil adhesion in sandstone - The search for the low salinity mechanism
DOI: 10.1038/srep09933
Specific ion effects on the hydrophobic interaction of benzene self-assembled monolayers
DOI: 10.1039/c5cp01803j
Density functional theory with modified dispersion correction for metals applied to molecular adsorption on Pt(111)
DOI: 10.1039/c6cp03289c
Is bicarbonate stable in and on the calcite surface?
HandaPhos: A General Ligand Enabling Sustainable ppm Levels of Palladium-Catalyzed Cross-Couplings in Water at Room Temperature
Could atomic-force microscopy force mapping be a fast alternative to core-plug tests for optimizing injection-water salinity for enhanced oil recovery in sandstone?
DOI: 10.2118/169136-pa
Modelling how incorporation of divalent cations affects calcite wettability-implications for biomineralisation and oil recovery
DOI: 10.1038/srep28854
Calcite Growth Kinetics: Dependence on Saturation Index, Ca2+:CO32- Activity Ratio, and Surface Atomic Structure
Functional Group Adsorption on Calcite: I. Oxygen Containing and Nonpolar Organic Molecules
Functional Group Adsorption on Calcite: II. Nitrogen and Sulfur Containing Organic Molecules
A quantum mechanically derived force field to predict CO2 Adsorption on calcite {10.4} in an aqueous environment
Calcite wettability in the presence of dissolved Mg2+ and SO42-
Predicting CO2-H2O Interfacial Tension Using COSMO-RS
Hydrolytic Stability of 3-Aminopropylsilane Coupling Agent on Silica and Silicate Surfaces at Elevated Temperatures
Salinity-Dependent Adhesion Response Properties of Aluminosilicate (K-Feldspar) Surfaces
Elements of Eoarchean life trapped in mineral inclusions
DOI: 10.1038/nature23261
Probing the Surface Charge on the Basal Planes of Kaolinite Particles with High-Resolution Atomic Force Microscopy
Micelle-enabled clean and selective sulfonylation of polyfluoroarenes in water under mild conditions
DOI: 10.1039/c7gc03514d
The effect of solvation and temperature on the adsorption of small organic molecules on calcite
DOI: 10.1039/c7cp06747j
Calculation of Entropy of Adsorption for Small Molecules on Mineral Surfaces
Structure of Nanoparticles Derived from Designer Surfactant TPGS-750-M in Water, As Used in Organic Synthesis
Prediction of aliphatic and aromatic oil-water interfacial tension at temperatures >100 °C using COSMO-RS
The mechanisms of crystal growth inhibition by organic and inorganic inhibitors
Insights into the Pore-Scale Mechanism for the Low-Salinity Effect: Implications for Enhanced Oil Recovery
Ion effects on molecular interaction between graphene oxide and organic molecules
DOI: 10.1039/c9en00274j
Unstable, Super Critical CO2-Water Displacement in Fine Grained Porous Media under Geologic Carbon Sequestration Conditions
Tailor-made solvents for pharmaceutical use? Experimental and computational approach for determining solubility in deep eutectic solvents (DES)
A Rhodium-Based Methane Oxidation Catalyst with High Tolerance to H2O and SO2
Comparison of atomic force microscopy and zeta potential derived surface charge density
Surfactant Technology: With New Rules, Designing New Sequences Is Required!
Thermodynamic and Kinetic Parameters for Calcite Nucleation on Peptoid and Model Scaffolds: A Step toward Nacre Mimicry
Hybrid machine learning assisted modelling framework for particle processes
Influence of the support on rhodium speciation and catalytic activity of rhodium-based catalysts for total oxidation of methane
DOI: 10.1039/d0cy00847h
Interfacial tension in water/n-decane/naphthenic acid systems predicted by a combined COSMO-RS theory and pendant drop experimental study
First-principles prediction of surface wetting
Sulfur poisoning and regeneration of Rh-ZSM-5 catalysts for total oxidation of methane
Molecular tracking: A concept for side-draw distillation column design
DOI: 10.1002/aic.17070
Molecular Transport across Oil−Brine Interfaces Impacts Interfacial Tension: Time-Effects in Buoyant and Pendant Drop Measurements
Adsorption of nitrogen heterocyclic compounds (NHC) on soil minerals: Quinoline as an example
Virtual reality in chemical and biochemical engineering education and training
Predicted structures of calcium aluminosilicate glass as a model for stone wool fiber: effects of composition and interatomic potential
A density functional theory study of Fe(II)/Fe(III) distribution in single layer green rust: a cluster approach
Fault diagnosis of chemical processes based on joint recurrence quantification analysis
Integration of first-principle models and machine learning in a modeling framework: An application to flocculation
Density functional theory study on the initial reactions of D-Xylose and D-Xylulose dehydration to furfural
First-principles prediction of critical micellar concentrations for ionic and nonionic surfactants
Electrochemical and molecular modelling studies of CO2 corrosion inhibition characteristics of alkanolamine molecules for the protection of 1Cr steel
Intensified separation alternatives for offshore natural gas sweetening
Modular and intensified – reimagining manufacturing at the energy-chemistry nexus and beyond
Quantum computing for chemical and biomolecular product design
Hydrogen sulfide capture and removal technologies: A comprehensive review of recent developments and emerging trends
Entropy reduction from strong localization – an explanation for enhanced reaction rates of organic synthesis in aqueous micelles
Electrochemical and molecular modelling studies of corrosion inhibition characteristics of imidazolines on 1Cr steel under sweet conditions
A roadmap for designing eXtended reality tools to teach unit operations in chemical engineering: Learning theories & shifting pedagogies
The shape of water – How cluster formation provides a unifying explanation of water's anomalous properties
A strategic plan for developing eXtended reality tools to teach unit operations in chemical engineering: Defining needs, technology selection and project resources
Atomistic simulations of calcium aluminosilicate interfaced with liquid water
DOI: 10.1063/5.0164817
First-Principles Prediction of Amorphous Silica Nanoparticle Surface Charge: Effect of Size, pH, and Ionic Strength
Prediction of the surface chemistry of calcium aluminosilicate glasses
The shape of water - how cluster formation explains the hydrophobic effect
Photochemical cyclopropanation in aqueous micellar media – experimental and theoretical studies
DOI: 10.1039/d4cc00828f
Mathematical modeling of dispersed CO2 dissolution in ionic liquids: Application to carbon capture
Aqueous Micellar Environment Impacts the Co-Catalyzed Phototransformation: A Case Study
DOI: 10.1021/jacs.4c02682
Comment on: The shape of water - how cluster formation explains the hydrophobic effect
Prediction of Surface Tension Using COSMO-RS
Transition Metal Ions in Solution: Complexed Ion Speciation at the Air-Liquid Interface
Organic Molecule Adsorption on Barite (001)─A Density Functional Theory Study
Capillary-pressure saturation relation derived from the pore morphology method
DOI: 10.1103/1dw6-m4v2
Vitamin B12 and Micellar Solution Enable Regioselective Ring Opening of Epoxides and Aziridines with Electrophilic Olefins
Deciphering Zn(II)-Carboxylic Acid Interactions: Tailoring Oil/Water Interfaces and Surfactant Efficiency
Insights into the Active Sites for Catalytic Steam Reforming of Methane from Oscillations in the Reaction
DOI: 10.1021/jacs.5c11696
Gauge-invariant long-wavelength TDDFT without empty states: From polarizability to Kubo conductivity across heterogeneous materials
DOI: 10.1063/5.0310849