2020

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.

2020

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