support@kaust.edu.sa
+966 (12) 808-3463
logo-black
  • Home
  • Research
  • People
    • Current
    • Alumni
  • Publications
    • 2025
    • 2024
    • 2023
    • 2022
    • 2021
    • 2020
    • 2019
    • 2018
    • 2017
    • 2016
    • 2015
    • 2014
    • 2013
    • 2012
  • Teaching
  • Collaborators
  • News
  • Join Us
  • Contact us
  • Photo Gallary
breadcrumb-bg

2020

  1. Home
  2. Publications
Unraveling the New Role of an Ethylene Carbonate Solvation Shell in Rechargeable Metal Ion Batteries
Year: 2020 DOI:https://doi.org/10.1021/acsenergylett.0c02140
Authors: Qian Li, Zhen Cao, Gang Liu, Geon-Tae Park, et.al.
ACS Energy Letters
Metathesis of Classical and Functionalized Olefins Catalyzed by Silica-Supported Single-Site Well-Defined W and Mo Pre-catalysts
Year: 2020 DOI:https://doi.org/10.1002/cctc.202000897
Authors: Aya Saidi, Manoja K Samantaray, Albert Poater, Mykyta Tretiakov, et.al.
ChemCatChem
High-valence metals improve oxygen evolution reaction performance by modulating 3d metal oxidation cycle energetics
Year: 2020 DOI:https://doi.org/10.1038/s41929-020-00525-6
Authors: Bo Zhang, Lie Wang, Zhen Cao, Sergey M Kozlov, F Pelayo García de Arquer, et.al.
Nature Catalysis
Methane dry reforming on supported cobalt nanoparticles promoted by boron
Year: 2020 DOI:https://doi.org/10.1016/j.jcat.2020.09.015
Catalysis
  • Dry reforming of methane
  • Cobalt
  • Boron
  • Carbon deposition
  • Metal oxidation
  • et.al.
Solution processable metal–organic frameworks for mixed matrix membranes using porous liquids
Year: 2020 DOI:https://doi.org/10.1038/s41563-020-0764-y
Authors: Alexander Knebel, Anastasiya Bavykina, Shuvo Jit Datta, et.al.
Nature Materials
Thermochemistry of 5,10,15,20-tetraphenylporphyrin
Year: 2020 DOI:https://doi.org/10.1016/j.jct.2020.106244
Authors: Lev S Kudin, Anatoly M Dunaev, Vladimir B Motalov, Luigi Cavallo, et.al.
Chemical Thermodynamics
  • Tetraphenylporphyrin
  • Knudsen effusion mass spectrometry
  • Vapor pressure
  • Enthalpy of sublimation
  • et.al.
Optically Pure C1-Symmetric Cyclic(alkyl)(amino)carbene Ruthenium Complexes for Asymmetric Olefin Metathesis
Year: 2020 DOI:https://doi.org/10.1021/jacs.0c10705
Authors: Jennifer Morvan, François Vermersch, Ziyun Zhang, Laura Falivene, et.al.
 J. Am. Chem. Soc.
σ/π Plasticity of NHCs on the Ruthenium–Phosphine and Ruthenium═Ylidene Bonds in Olefin Metathesis Catalysts
Year: 2020 DOI:https://doi.org/10.1021/acs.organomet.0c00536
Authors: Luis Miguel Azofra, Sai VC Vummaleti, Ziyun Zhang, Albert Poater, et.al.
Organometallics
Enzymatic Formation of an Artificial Base Pair Using a Modified Purine Nucleoside Triphosphate
Year: 2020 DOI:https://doi.org/10.1021/acschembio.0c00396
Authors: Marie Flamme, Pascal Röthlisberger, Fabienne Levi-Acobas, Mohit Chawla, Romina Oliva, Luigi Cavallo, et.al.
ACS Chem. Biol.
Role of Oxidized Mo Species on the Active Surface of Ni–Mo Electrocatalysts for Hydrogen Evolution under Alkaline Conditions
Year: 2020 DOI:https://doi.org/10.1021/acscatal.0c02743
Authors: Jeremy A Bau,, Sergey M Kozlov, Luis Miguel Azofra, Samy Ould-Chikh, et.al.
ACS catalysis
  • Nickel
  • molybdenum
  • Hydrogen evolution
  • alkaline
  • EPR
Understanding High-Salt and Cold Adaptation of a Polyextremophilic Enzyme
Year: 2020 DOI:https://doi.org/10.3390/microorganisms8101594
Authors: Ram Karan, Sam Mathew, Reyhan Muhammad, Didier B Bautista, Malvina Vogler, et.al.
Microorganisms 
  • extremophiles
  • halophiles
  • psychrophiles
  • polyextremophiles
  • extremozymes
  • et.al.
Additives Engineered Nonflammable Electrolyte for Safer Potassium Ion Batteries
Year: 2020 DOI:https://doi.org/10.1002/adfm.202001934
Authors: Gang Liu, Zhen Cao, Lin Zhou, Jiao Zhang, Qujiang Sun, Jang-Yeon Hwang, et.al.
Advanced Functional Materials
The role of noncovalent interactions in olefin polymerization catalysis: a further look to the fluorinated ligand effect
Year: 2020 DOI:https://doi.org/10.1016/j.mcat.2020.111118
Authors: Dr. Laura Falivene, Luigi Cavallo, Giovanni Talarico
Moleculer Catalysis.
  • Olefin polymerization catalysis
  • Ortho-fluoro effect
  • Noncovalent interactions
  • et.al.
Extension of Surface Organometallic Chemistry to Metal–Organic Frameworks: Development of a Well-Defined Single Site [(≡Zr–O−)W(═O)(CH2tBu)3] Olefin Metathesis Catalyst
Year: 2020 DOI:https://doi.org/10.1021/jacs.0c06925
Authors: Zeynabou Thiam, Busra Dereli, Edy Abou-Hamad, Lingmei Liu, et.al.
J. Am. Chem. Soc.
Mechanistic Insight into the Photoredox-Nickel-HAT Triple Catalyzed Arylation and Alkylation of α-Amino Csp3–H Bonds
Year: 2020 DOI:https://doi.org/10.1021/jacs.0c05010
Authors: Bholanath Maity, Chen Zhu, Huifeng Yue, Long Huang, Moussab Harb, et.al.
J. Am. Chem. Soc.
Model-Based Design of Stable Electrolytes for Potassium Ion Batteries
Year: 2020 DOI:https://doi.org/10.1021/acsenergylett.0c01634
Authors: Jiao Zhang, Zhen Cao, Lin Zhou, Geon-Tae Park, Luigi Cavallo, et.al.
ACS Energy Lett.
The CASP13-CAPRI targets as case studies to illustrate a novel scoring pipeline integrating CONSRANK with clustering and interface analyses
Year: 2020
Authors: Didier Barradas-Bautista, Zhen Cao, Luigi Cavallo, Romina Oliva
BMC Bioinformatics.
Precision Molecular Threading/Dethreading
Year: 2020 DOI:https://doi.org/10.1002/ange.202003064
Authors: Jessica Groppi, Lorenzo Casimiro, Martina Canton, Stefano Corra, Mina Jafari‐Nasab, et.al.
Angewandte Chemie
[Pd(NHC)(m-Cl)Cl]2: Versatile and Highly Reactive Complexes for Cross-Coupling Reactions that Avoid Formation of Inactive Pd(I) Off-Cycle Products
Year: 2020 DOI:https://doi.org/10.1016/j.isci.2020.101377
Authors: Tongliang Zhou, Siyue Ma, Alan M.C. Obled, Albert Poater, Luigi Cavallo, et.al.
 iScience.
High-performance pan-tactic polythioesters with intrinsic crystallinity and chemical recyclability
Year: 2020 DOI:https://doi.org/10.1126/sciadv.abc0495
Authors: Changxia Shi, Zi-Chen Li, Luigi Cavallo, Laura Falivene, Eugene Y-X Chen, et.al.
Science advances
From Capsule to Helix: Guest-Induced Superstructures of Chiral Macrocycle Crystals
Year: 2020 DOI:https://doi.org/10.1021/jacs.0c05776
Authors: Avishek Dey, Santanu Chand, Lukman O Alimi, Munmun Ghosh, Luigi Cavallo, Niveen M Khashab
J.Am.Chem.Soc
Remarkable Influence of α-SnWO4 Exposed Facets on Their Photocatalytic Performance for H2 and O2 Evolution Reactions
Year: 2020 DOI:https://doi.org/10.1021/acs.jpcc.0c06718
Authors: Moussab Harb, Luigi Cavallo, Jean-Marie Basset
Physical Chemistry C.
Model-Based Design of Graphite-Compatible Electrolytes in Potassium-Ion Batteries
Year: 2020 DOI:https://doi.org/10.1021/acsenergylett.0c01401
Authors: Zhen Cao, Lin Zhou, Gang Liu, Geon-Tae Park, Luigi Cavallo, et.al.
ACS Energy Lett.
Regiodivergent Hydroborative Ring Opening of Epoxides via Selective C–O Bond Activation
Year: 2020 DOI:https://doi.org/10.1021/jacs.0c05917
Authors: Marc Magre, Eva Paffenholz, Bholanath Maity, Luigi Cavallo, Magnus Rueping
Journal of the American Chemical Society
Iridium-Catalyzed Enantioselective Hydroarylation of Alkenes through C−H bond Activation: Experiment and Computation
Year: 2020 DOI:https://doi.org/10.1002/chem.202001793
A European Journal
Evidence for Silica Surface Three- and Five-Membered Metallacycle Intermediates in the Catalytic Cycle of Hydroaminoalkylation of Olefins Using Single-Ti-Metal Catalysts
Year: 2020 DOI:https://doi.org/10.1021/acs.organomet.0c00246
Authors: Layal F Yaacoub, Maha A Aljuhani, Abdesslem Jedidi, Manal S Al-Harbi, Walid Al Maksoud, et.al.
Organometallics
Significant Impact of Exposed Facets on the BiVO4 Material Performance for Photocatalytic Water Splitting Reactions
Year: 2020 DOI:https://doi.org/10.1021/acs.jpclett.0c01234
Authors: Sheikha Lardhi, Luigi Cavallo, Moussab Harb
J. Phys. Chem. Lett.
Occurrence and stability of lone pair-π and OH–π interactions between water and nucleobases in functional RNAs
Year: 2020 DOI:https://doi.org/10.1093/nar/gkaa345
Authors: Kanav Kalra, Suresh Gorle, Luigi Cavallo, Romina Oliva, Mohit Chawla
Nucleic Acids Research
Bio-inspired heteroatom-doped hollow aurilave-like structured carbon for high-performance sodium-ion batteries and supercapacitors
Year: 2020 DOI:https://doi.org/10.1016/j.jpowsour.2020.228128
Authors: Qujiang Sun, Zhen Cao, Shaohua Wang, Lianshan Sun, et.al.
Power Sources.
  • Sodium-ion batteries
  • supercapacitors
  • Carbon
  • Biomaterials
  • et.al.
D936Y and Other Mutations in the Fusion Core of the SARS-Cov-2 Spike Protein Heptad Repeat 1 Undermine the Post-Fusion Assembly
Year: 2020 DOI:doi: https://doi.org/10.1101/2020.06.08.140152
Authors: Luigi Cavallo, Romina Oliva
 Molecules
Phenanthroline Covalent Organic Framework Electrodes for High-Performance Zinc-Ion Supercapattery
Year: 2020 DOI:https://doi.org/10.1021/acsenergylett.0c00903
Authors: Wenxi Wang, Vinayak S Kale, Zhen Cao, Sharath Kandambeth, et.al.
ACS Energy Lett.
3D Crumpled Ultrathin 1T MoS2 for Inkjet Printing of Mg-Ion Asymmetric Micro-supercapacitors
Year: 2020 DOI:https://doi.org/10.1021/acsnano.0c02585
Authors: Yuanlong Shao, Jui-Han Fu, Kepeng Song, Ruofan Sun, et.al.
ACS Nano.
  • supercapacitors
  • MoS2
  • printing technique
  • et.al.
Biodegradable Polyhydroxyalkanoates by Stereoselective Copolymerization of Racemic Diolides: Stereocontrol and Polyolefin-Like Properties
Year: 2020 DOI:https://doi.org/10.1002/ange.201916415
Authors: Xiaoyan Tang, Andrea H Westlie, Lucia Caporaso, Luigi Cavallo, Laura Falivene, et.al.
Angewandte Chemie.
A Novel [OSSO]-Type Chromium(III) Complex as a Versatile Catalyst for Copolymerization of Carbon Dioxide with Epoxides
Year: 2020 DOI:https://doi.org/10.1002/chem.201905455
Authors: Francesco Della Monica, Veronica Paradiso, Alfonso Grassi, Stefano Milione, Luigi Cavallo, Carmine Capacchione
Engineering Sodium-Ion Solvation Structure to Stabilize Sodium Anodes: Universal Strategy for Fast-Charging and Safer Sodium-Ion Batteries
Year: 2020 DOI:https://doi.org/10.1021/acs.nanolett.9b05355
Authors: Lin Zhou, Zhen Cao, Jiao Zhang, Qujiang Sun, et.al.
Nano Lett.
  • sodium battery
  • electrolyte. solid electrolyte interphase
  • anode
  • fast charging
Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations
Year: 2020 DOI:https://doi.org/10.1016/j.cplett.2020.137239
Authors: Abdul Rajjak Shaikh, Muhammad Ashraf, Turki AlMayef, Mohit Chawla, Albert Poater, Luigi Cavallo
Chemical Physics Lett.
  • Ionic liquids
  • Molecular Dynamics Simulation
  • Density functional theory
  • CO2 capture
A Mechanistically and Operationally Simple Route to Metal–N-Heterocyclic Carbene (NHC) Complexes
Year: 2020 DOI:https://doi.org/10.1002/chem.202000564
Authors: Nikolaos V Tzouras, Fady Nahra, Laura Falivene, Luigi Cavallo, et.al.
Chemistry A European Journal.
Phenoxylation of Alkynes through Mono- and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts
Year: 2020 DOI:https://doi.org/10.1002/ejic.201901220
Authors: Miguel Ramos, Jordi Poater, Nery Villegas‐Escobar, Martí Gimferrer, Luigi Cavallo, et.al.
Inorg. Chem.
Tricyclic Sulfoxide–Alkene Hybrid Ligands for Chiral Rh(I) Complexes: The “Matched” Diastereomer Catalyzes Asymmetric C–C Bond Formations
Year: 2020 DOI:https://doi.org/10.1021/acs.organomet.0c00094
Authors: Alexander Nikol, Ziyun Zhang, Ahmed Chelouan, Laura Falivene, Luigi Cavallo, et.al.
Organometallics
Barium-Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight
Year: 2020 DOI:https://doi.org/10.1002/chem.201904933
Authors: Erwann Le Coz, Ziyun Zhang, Thierry Roisnel, Luigi Cavallo, Laura Falivene, et.al.
Chemistry A European  Journal
A Site-Selective Doping Strategy of Carbon Anodes with Remarkable K-Ion Storage Capacity
Year: 2020 DOI:https://doi.org/10.1002/ange.201913368
Authors: Wenli Zhang, Zhen Cao, Wenxi Wang, Eman Alhajji, Abdul‐Hamid Emwas, et.al.
Angewandte Chemie
Electrolyte Engineering Enables High Stability and Capacity Alloying Anodes for Sodium and Potassium Ion Batteries
Year: 2020 DOI:https://doi.org/10.1021/acsenergylett.0c00148
Authors: Lin Zhou, Zhen Cao, Jiao Zhang, Luigi Cavallo, et.al.
ACS Energy Lett.
Hydration-Effect-Promoting Ni–Fe Oxyhydroxide Catalysts for Neutral Water Oxidation
Year: 2020 DOI:https://doi.org/10.1002/adma.201906806
Authors: Ning Wang, Zhen Cao, Xueli Zheng, Bo Zhang, Sergey M Kozlov, et.al.
Advanced Materials.
In silico design of novel NRR electrocatalysts: cobalt–molybdenum alloys.
Year: 2020 DOI:https://doi.org/10.1039/D0CC05921H
Authors: Blanca Castellano-Varona, Moussab Harb, Javier Araña, Luigi Cavallo, Luis Miguel Azofra
Chem. Commun.
The anticancer activity of an air-stable Pd(I)-NHC (NHC = N-heterocyclic carbene) dimer.
Year: 2020 DOI:https://doi.org/10.1039/D0CC03883K
Authors: Stefano Palazzolo, Isabella Caligiuri, Busra Dereli, Manoj V Mane, et.al.
Chem. Commun.
Catalysis of silica-based anode (de-)lithiation: compositional design within a hollow structure for accelerated conversion reaction kinetics.
Year: 2020 DOI:https://doi.org/10.1039/D0TA01671C
Authors: Yabin Shen, Zhen Cao, Yingqiang Wu, Yong Cheng, Hongjin Xue, et.al.
Materials Chemistry A.
Conversion of racemic alcohols to optically pure amine precursors enabled by catalyst dynamic kinetic resolution: experiment and computation.
Year: 2020 DOI:https://doi.org/10.1039/D0CC02881A
Authors: Luis MigueláAzofra, Mai Anh Tran, Viktoriia Zubar, Luigi Cavallo, et.al.
Chem. Commun.
Using sodium acetate for the synthesis of [Au(NHC)X] complexes
Year: 2020 DOI:https://doi.org/10.1039/D0DT02240C
Authors: Thomas Scattolin, Nikolaos V. Tzouras, Laura Falivene, Luigi Cavallo, Steven P. Nolan
Dalton Transactions.
Designing an active Ta3N5 photocatalyst for H2 and O2 evolution reactions by specific exposed facet engineering: a first-principles study
Year: 2020 DOI:https://doi.org/10.1039/D0CP01394C
Authors: Moussab Harb, Luigi Cavallo, Jean-Marie Basset
Phys. Chem. Chem. Phys.
Buchwald–Hartwig cross-coupling of amides (transamidation) by selective N–C(O) cleavage mediated by air- and moisture-stable [Pd(NHC)(allyl)Cl] precatalysts: catalyst evaluation and mechanism.
Year: 2020 DOI:https://doi.org/10.1039/C9CY02080B
Authors: Guangchen Li, Tongliang Zhou, Albert Poater, Luigi Cavallo, et.al.
Royal Society of Chemistry
Nature of Nitrogen Incorporation in BiVO4 Photoanodes through Chemical and Physical Methods
Year: 2020 DOI:https://doi.org/10.1002/solr.201900290
Authors: Rowshanak Irani, Ibbi Y Ahmet, Ji-Wook Jang, Sean P Berglund, Paul Plate, Roman Böttger, et.al.
RRL Solar.
logo-white

"KAUST shall be a beacon for peace, hope and reconciliation, and shall serve the people of the Kingdom and the world."

King Abdullah bin Abdulaziz Al Saud, 1924 – 2015

Contact Us

  • 4700 King Abdullah University of Science and Technology

    Thuwal 23955-6900

    Kingdom of Saudi Arabia

Quick links

 

Physical Science and Engineering Division


  • Chemical Science Program

KAUST Catalysis Center

© King Abdullah University of Science and Technology. All rights reserved

Privacy Policy
Terms of Use
Loading...