Personal information

Activities

Employment (1)

National Research Council (CNR): Rome, IT

2001-12-27 to present | Director of Research (Institute of Chemistry of Organometallic Compounds (ICCOM))
Employment
Source: Self-asserted source
Susanna Monti

Education and qualifications (2)

KTH Royal Institute of Technology: Stockholm, SE

2013-07-01 to 2016-12-16 | PhD (Theoretical Chemistry and Biology)
Education
Source: Self-asserted source
Susanna Monti

University of Pisa: Pisa, IT

1993-03-11 | Dr (Physics)
Education
Source: Self-asserted source
Susanna Monti

Works (50 of 147)

Items per page:
Page 1 of 3

Chemo-enzymatic functionalized sustainable cellulosic membranes: Impact of regional selectivity on ions capture and antifouling behavior

Carbohydrate Polymers
2022 | Journal article
EID:

2-s2.0-85120673588

Part of ISSN: 01448617
Contributors: Asad, M.; Asiri, A.M.; Azum, N.; Monti, S.; Karim, Z.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Exploring the mechanisms of drug-delivery by decorated ZnO nanoparticles through predictive ReaxFF molecular dynamics simulations

Nanoscale
2022 | Journal article
Part of ISSN: 2040-3364
Part of ISSN: 2040-3372
Contributors: Susanna Monti
Source: Self-asserted source
Susanna Monti

Lignin-Supported Heterogeneous Photocatalyst for the Direct Generation of H<sub>2</sub>O<sub>2</sub>from Seawater

Journal of the American Chemical Society
2022 | Journal article
EID:

2-s2.0-85124636648

Contributors: Gopakumar, A.; Ren, P.; Chen, J.; Manzolli Rodrigues, B.V.; Vincent Ching, H.Y.; Jaworski, A.; Doorslaer, S.V.; Rokicińska, A.; Kuśtrowski, P.; Barcaro, G. et al.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

On the mineralization of nanocellulose to produce functional hybrid materials

Journal of Materials Chemistry A
2022 | Journal article
EID:

2-s2.0-85129266671

Part of ISSN: 20507496 20507488
Contributors: Valencia, L.; Handa, R.; Monti, S.; Jasso-Salcedo, A.B.; Georgouvelas, D.; Magaña, I.; Díaz de León, R.; Velikov, K.P.; Mathew, A.P.; Kumar, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Reaction pathways on N-substituted carbon catalysts during the electrochemical reduction of nitrate to ammonia

Catalysis Science and Technology
2022 | Journal article
EID:

2-s2.0-85129793490

Part of ISSN: 20444761 20444753
Contributors: Chen, Z.; Chen, J.; Barcaro, G.; Budnyak, T.M.; Rokicińska, A.; Dronskowski, R.; Budnyk, S.; Kuśtrowski, P.; Monti, S.; Slabon, A.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Thermal degradation of optical resonances in plasmonic nanoparticles

Nanoscale
2022 | Journal article
EID:

2-s2.0-85122871992

Part of ISSN: 20403372 20403364
Contributors: Sørensen, L.K.; Khrennikov, D.E.; Gerasimov, V.S.; Ershov, A.E.; Vysotin, M.A.; Monti, S.; Zakomirnyi, V.I.; Polyutov, S.P.; Ågren, H.; Karpov, S.V.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Unravelling stereoisomerism in acid catalysed lignin conversion: an integration of experimental trends and theoretical evaluations

Green Chemistry
2022 | Journal article
Part of ISSN: 1463-9262
Part of ISSN: 1463-9270
Contributors: Susanna Monti
Source: Self-asserted source
Susanna Monti

Upscaled engineered functional microfibrillated cellulose flat sheet membranes for removing charged water pollutants

Separation and Purification Technology
2022 | Journal article
EID:

2-s2.0-85125629139

Part of ISSN: 18733794 13835866
Contributors: Karim, Z.; Georgouvelas, D.; Svedberg, A.; Monti, S.; Mathew, A.P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Egg protein derived ultralightweight hybrid monolithic aerogel for water purification

Materials Today
2022-08 | Journal article
Part of ISSN: 1369-7021
Contributors: Susanna Monti
Source: Self-asserted source
Susanna Monti

Molecularly Imprinted Nanoparticles towards MMP9 for Controlling Cardiac ECM after Myocardial Infarction: A Predictive Experimental-Computational Chemistry Investigation

Biomedicines
2022-08 | Journal article | Author
Contributors: Anthea Villano; Giovanni Barcaro; Susanna Monti; Niccoletta Barbani; Antonio Rizzo; DANIELA ROSSIN; RAFFAELLA RASTALDO; Claudia Giachino; Caterina Cristallini
Source: check_circle
Multidisciplinary Digital Publishing Institute

Atomic-Level Understanding for the Enhanced Generation of Hydrogen Peroxide by the Introduction of an Aryl Amino Group in Polymeric Carbon Nitrides

ACS Catalysis
2021 | Journal article
EID:

2-s2.0-85119060384

Part of ISSN: 21555435
Contributors: Zhang, T.; Schilling, W.; Khan, S.U.; Ching, H.Y.V.; Lu, C.; Chen, J.; Jaworski, A.; Barcaro, G.; Monti, S.; De Wael, K. et al.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Diverse Phases of Carbonaceous Materials from Stochastic Simulations

ACS Nano
2021 | Journal article
EID:

2-s2.0-85103773715

Part of ISSN: 1936086X 19360851
Contributors: Monti, S.; Barcaro, G.; Goddard, W.A.; Fortunelli, A.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Erratum: New mechanistic insights into the lignin β-O-4 linkage acidolysis with ethylene glycol stabilization aided by multilevel computational chemistry (ACS Sustainable Chemistry and Engineering (2021) 9:5 (2388-2399) DOI: 10.1021/acssuschemeng.0c08901)

ACS Sustainable Chemistry and Engineering
2021 | Journal article
EID:

2-s2.0-85111112215

Part of ISSN: 21680485
Contributors: De Santi, A.; Monti, S.; Barcaro, G.; Zhang, Z.; Barta, K.; Deuss, P.J.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Microscopic Hybrid Membranes Made of Cellulose-Based Materials Tuned for Removing Metal Ions from Industrial Effluents

ACS Applied Polymer Materials
2021 | Journal article
EID:

2-s2.0-85110979525

Part of ISSN: 26376105
Contributors: Karim, Z.; Monti, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

New Mechanistic Insights into the Lignin β-O-4 Linkage Acidolysis with Ethylene Glycol Stabilization Aided by Multilevel Computational Chemistry

ACS Sustainable Chemistry and Engineering
2021 | Journal article
EID:

2-s2.0-85100796741

Part of ISSN: 21680485
Contributors: De Santi, A.; Monti, S.; Barcaro, G.; Zhang, Z.; Barta, K.; Deuss, P.J.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Toward Sustainable Li-Ion Battery Recycling: Green Metal-Organic Framework as a Molecular Sieve for the Selective Separation of Cobalt and Nickel

ACS Sustainable Chemistry and Engineering
2021 | Journal article
EID:

2-s2.0-85111283215

Part of ISSN: 21680485
Contributors: Piątek, J.; Budnyak, T.M.; Monti, S.; Barcaro, G.; Gueret, R.; Grape, E.S.; Jaworski, A.; Inge, A.K.; Rodrigues, B.V.M.; Slabon, A.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

A close view of the organic linker in a MOF: structural insights from a combined <sup>1</sup>H NMR relaxometry and computational investigation

Physical Chemistry Chemical Physics
2020 | Journal article
EID:

2-s2.0-85088246709

Part of ISSN: 14639076
Contributors: Pizzanelli, S.; Monti, S.; Gordeeva, L.G.; Solovyeva, M.V.; Freni, A.; Forte, C.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

A combination of experimental and computational methods to study the reactions during a Lignin-First approach

Pure and Applied Chemistry
2020 | Journal article
EID:

2-s2.0-85082333362

Part of ISSN: 13653075 00334545
Contributors: Kumaniaev, I.; Subbotina, E.; Galkin, M.V.; Srifa, P.; Monti, S.; Mongkolpichayarak, I.; Tungasmita, D.N.; Samec, J.S.M.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Enhanced sieving of cellulosic microfiber membranes: Via tuning of interlayer spacing

Environmental Science: Nano
2020 | Journal article
EID:

2-s2.0-85093934193

Part of ISSN: 20518161 20518153
Contributors: Karim, Z.; Monti, S.; Barcaro, G.; Svedberg, A.; Ansari, M.A.; Afrin, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Evaluation of nanocellulose interaction with water pollutants using nanocellulose colloidal probes and molecular dynamic simulations

Carbohydrate Polymers
2020 | Journal article
EID:

2-s2.0-85074520936

Part of ISSN: 01448617
Contributors: Zhu, C.; Monti, S.; Mathew, A.P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Modeling generation and growth of iron oxide nanoparticles from representative precursors through ReaxFF molecular dynamics

Nanoscale
2020 | Journal article
EID:

2-s2.0-85079079781

Part of ISSN: 20403372 20403364
Contributors: Barcaro, G.; Monti, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Multivalent ion-induced re-entrant transition of carboxylated cellulose nanofibrils and its influence on nanomaterials' properties

Nanoscale
2020 | Journal article
EID:

2-s2.0-85089127179

Part of ISSN: 20403372 20403364
Contributors: Valencia, L.; Nomena, E.M.; Monti, S.; Rosas-Arbelaez, W.; Mathew, A.P.; Kumar, S.; Velikov, K.P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Optimization of a New Reactive Force Field for Silver - Based Materials

ChemRxiv
2020 | Other
EID:

2-s2.0-85098910042

Part of ISSN: 25732293
Contributors: Dulong, C.; Madebene, B.; Monti, S.; Richardi, J.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Optimization of a New Reactive Force Field for Silver-Based Materials

Journal of Chemical Theory and Computation
2020 | Journal article
EID:

2-s2.0-85095963947

Part of ISSN: 15499626 15499618
Contributors: Dulong, C.; Madebene, B.; Monti, S.; Richardi, J.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Structure and dynamics of perylene bisimide pigments for "cool" organic coatings by solid-state NMR: A combined experimental and DFT study

Journal of Physical Chemistry C
2020 | Journal article
EID:

2-s2.0-85092032058

Part of ISSN: 19327455 19327447
Contributors: Martini, F.; Geppi, M.; Barcaro, G.; Monti, S.; Contiero, L.; Ruggeri, G.; Lessi, M.; Pucci, A.; Bellina, F.; Borsacchi, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Core shell investigation of 2-nitroimidazole

Frontiers in Chemistry
2019 | Journal article
EID:

2-s2.0-85064631563

Part of ISSN: 22962646
Contributors: Bolognesi, P.; Carravetta, V.; Sementa, L.; Barcaro, G.; Monti, S.; Mishra, P.M.; Cartoni, A.; Castrovilli, M.C.; Chiarinelli, J.; Tosic, S. et al.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Design of ultrathin hybrid membranes with improved retention efficiency of molecular dyes

RSC Advances
2019 | Journal article
EID:

2-s2.0-85072326457

Part of ISSN: 20462069
Contributors: Liu, P.; Milletto, C.; Monti, S.; Zhu, C.; Mathew, A.P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Experimental and theoretical elucidation of catalytic pathways in TiO<sub>2</sub>-initiated prebiotic polymerization

Physical Chemistry Chemical Physics
2019 | Journal article
EID:

2-s2.0-85062638871

Contributors: Barcaro, G.; Sementa, L.; Carravetta, V.; Yano, T.-A.; Hara, M.; Monti, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Modeling Nucleation and Growth of ZnO Nanoparticles in a Low Temperature Plasma by Reactive Dynamics

Journal of Chemical Theory and Computation
2019 | Journal article
EID:

2-s2.0-85062364172

Part of ISSN: 15499626 15499618
Contributors: Barcaro, G.; Monti, S.; Sementa, L.; Carravetta, V.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Nanocellulose/graphene oxide layered membranes: Elucidating their behaviour during filtration of water and metal ions in real time

Nanoscale
2019 | Journal article
EID:

2-s2.0-85075815026

Part of ISSN: 20403372 20403364
Contributors: Valencia, L.; Monti, S.; Kumar, S.; Zhu, C.; Liu, P.; Yu, S.; Mathew, A.P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

PH-dependent X-ray Photoelectron Chemical Shifts and Surface Distribution of Cysteine in Aqueous Solution

Journal of Physical Chemistry B
2019 | Journal article
EID:

2-s2.0-85065084046

Part of ISSN: 15205207 15206106
Contributors: Carravetta, V.; De Abreu Gomes, A.H.; Monti, S.; Mocellin, A.; Marinho, R.R.T.; Björneholm, O.; Ågren, H.; Naves De Brito, A.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Reactive force field simulations of silicon clusters

Advances in Physics: X
2019 | Journal article
EID:

2-s2.0-85076093376

Part of ISSN: 23746149
Contributors: Barcaro, G.; Carravetta, V.; Sementa, L.; Monti, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Structure and dynamics of gold nanoparticles decorated with chitosan-gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery

Physical Chemistry Chemical Physics
2019 | Journal article
EID:

2-s2.0-85067976689

Part of ISSN: 14639076
Contributors: Monti, S.; Jose, J.; Sahajan, A.; Kalarikkal, N.; Thomas, S.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Evaluation of nanocellulose interaction with water pollutants using nanocellulose colloidal probes and molecular dynamic simulations

Carbohydrate polymers.
2019-02 | Journal article
OTHER-ID:

IND606741504

Contributors: Zhu C; Mathew AP; Monti S
Source: Self-asserted source
Susanna Monti via Europe PubMed Central

Cellulose Nanofiber-Graphene Oxide Biohybrids: Disclosing the Self-Assembly and Copper-Ion Adsorption Using Advanced Microscopy and ReaxFF Simulations

ACS Nano
2018 | Journal article
EID:

2-s2.0-85048522703

Part of ISSN: 1936086X 19360851
Contributors: Zhu, C.; Monti, S.; Mathew, A.P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Dynamical and Structural Characterization of the Adsorption of Fluorinated Alkane Chains onto CeO<sub>2</sub>

Journal of Physical Chemistry C
2018 | Journal article
EID:

2-s2.0-85054674544

Contributors: Barcaro, G.; Sementa, L.; Monti, S.; Carravetta, V.; Broqvist, P.; Kullgren, J.; Hermansson, K.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Dynamics and self-assembly of bio-functionalized gold nanoparticles in solution: Reactive molecular dynamics simulations

Nano Research
2018 | Journal article
EID:

2-s2.0-85023205769

Part of ISSN: 19980000 19980124
Contributors: Monti, S.; Barcaro, G.; Sementa, L.; Carravetta, V.; Ågren, H.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Molecular dynamics simulations of melting and sintering of Si nanoparticles: A comparison of different force fields and computational models

Physical Chemistry Chemical Physics
2018 | Journal article
EID:

2-s2.0-85040978527

Part of ISSN: 14639076
Contributors: Sementa, L.; Barcaro, G.; Monti, S.; Carravetta, V.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

ReaxFF Simulations of Lignin Fragmentation on a Palladium-Based Heterogeneous Catalyst in Methanol-Water Solution

Journal of Physical Chemistry Letters
2018 | Journal article
EID:

2-s2.0-85052996530

Part of ISSN: 19487185
Contributors: Monti, S.; Srifa, P.; Kumaniaev, I.; Samec, J.S.M.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Characterization of the adsorption dynamics of trisodium citrate on gold in water solution

RSC Advances
2017 | Journal article
EID:

2-s2.0-85032467372

Part of ISSN: 20462069
Contributors: Monti, S.; Barcaro, G.; Sementa, L.; Carravetta, V.; Ågren, H.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles

Journal of Chemical Theory and Computation
2017 | Journal article
EID:

2-s2.0-85027250052

Part of ISSN: 15499626 15499618
Contributors: Barcaro, G.; Monti, S.; Sementa, L.; Carravetta, V.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Atomistic Modelling of Si Nanoparticles Synthesis

Crystals
2017-02 | Journal article
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Decoration of gold nanoparticles with cysteine in solution: Reactive molecular dynamics simulations

Nanoscale
2016 | Journal article
EID:

2-s2.0-84977080775

Contributors: Monti, S.; Carravetta, V.; Ågren, H.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Experimental and theoretical XPS and NEXAFS studies of N-methylacetamide and N-methyltrifluoroacetamide

Physical Chemistry Chemical Physics
2016 | Journal article
EID:

2-s2.0-84954190062

Contributors: Li, C.; Salén, P.; Yatsyna, V.; Schio, L.; Feifel, R.; Squibb, R.; Kamińska, M.; Larsson, M.; Richter, R.; Alagia, M. et al.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Optical properties of gold nanoclusters functionalized with a small organic compound: Modeling by an integrated quantum-classical approach

Journal of Chemical Theory and Computation
2016 | Journal article
EID:

2-s2.0-84978817848

Contributors: Li, X.; Carravetta, V.; Li, C.; Monti, S.; Rinkevicius, Z.; Ågren, H.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Simulation of Gold Functionalization with Cysteine by Reactive Molecular Dynamics

Journal of Physical Chemistry Letters
2016 | Journal article
EID:

2-s2.0-84955501883

Contributors: Monti, S.; Carravetta, V.; Ågren, H.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Theoretical Investigation of Adsorption, Dynamics, Self-Aggregation, and Spectroscopic Properties of the D102 Indoline Dye on an Anatase (101) Substrate

Journal of Physical Chemistry C
2016 | Journal article
EID:

2-s2.0-84958063771

Contributors: Monti, S.; Pastore, M.; Li, C.; De Angelis, F.; Carravetta, V.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Theoretical study of para-nitro-aniline adsorption on the Au(111) surface

Surface Science
2016 | Journal article
EID:

2-s2.0-84962307551

Contributors: Li, C.; Monti, S.; Li, X.; Rinkevicius, Z.; Ågren, H.; Carravetta, V.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Theoretical Study of the Adsorption Mechanism of Cystine on Au(110) in Aqueous Solution

Small
2016 | Journal article
EID:

2-s2.0-84989221395

Contributors: Monti, S.; Carravetta, V.; Ågren, H.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier

Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces

Langmuir
2015 | Journal article
EID:

2-s2.0-84934941472

Contributors: Corno, M.; Delle Piane, M.; Monti, S.; Moreno-Couranjou, M.; Choquet, P.; Ugliengo, P.
Source: Self-asserted source
Susanna Monti via Scopus - Elsevier
Items per page:
Page 1 of 3

Peer review (17 reviews for 10 publications/grants)

Review activity for ACS sustainable chemistry & engineering. (1)
Review activity for Advanced materials. (1)
Review activity for Journal of chemical information and modeling. (1)
Review activity for Journal of chemical theory and computation : (3)
Review activity for Journal of physical chemistry. (3)
Review activity for Langmuir : (2)
Review activity for Molecular pharmaceutics. (1)
Review activity for Nano letters. (1)
Review activity for The journal of physical chemistry letters. (3)
Review activity for The journal of physical chemistry. (1)