Publicaciones y Proyectos CNAP

02 julio 2025

Structural prediction and surface-induced short-range order in HfNbTaZr high-entropy alloy nanoparticles

DOI: 10.1063/5.0261973

09 junio 2025

Understanding the Toxicity of Metal-Based Nanomaterials: Current Insights, Challenges, and Future Directions

Manuel Ahumada

DOI: 10.1021/acsmaterialslett.5c00616

05 junio 2025

Selective benzaldehyde/acetone to benzalacetone cross-aldol condensation catalyzed by UiO-66 MOFs

Yoan Hidalgo

DOI: 10.1039/D5DT00494B

30 mayo 2025

MOFs as a partner for the H2 industry

Yoan Hidalgo

DOI: 10.1039/D5CE00384A

27 mayo 2025

Sulfate-modified MOF-808 as a superacid catalyst: a performance evaluation of Zr(iv) and Hf(iv) analogues in acetalization reactions

Yoan Hidalgo

DOI: 10.1039/D5DT00608B

28 abril 2025

Synthesis and characterization of a photocatalyst material with heterostructure NH4V4O10/SrTiO3/C-dots for use in hydrogen production via water splitting

Diego Guzmán

DOI: 10.1016/j.ijhydene.2025.04.218

09 abril 2025

Advances in 3D Bioprinting for Corneal Regeneration

Manuel Ahumada

DOI: 10.3390/gels11060422

06 abril 2025

Effect of temperature on the carbonization process of cationic carbon dots: a physicochemical and in vitro study

Manuel Ahumada

DOI: 10.1039/D5RA00062A

06 abril 2025

Synthesis and Characterization of HfO2@Fe3O4 Core−Shell Nanotubes: Insights into Potential Magnetic Functionalities

Daniela Alburquenque

DOI: 10.1021/acsaelm.5c00280

04 abril 2025

Epidemiological surveillance and incidence of respiratory viruses in Chile: Before and after COVID-19

Rafael González

DOI: 10.22354/24223794.1222

25 marzo 2025

Role of Sn atoms on the Crotonaldehyde (2-Butenal) adsorption over bimetallic catalysts PtSn(110), Pt3Sn(111)/Pt(111), Pt3Sn(111) and PtSn4(010): A periodic DFT study

Yoan Hidalgo

DOI: 10.1016/j.rechem.2025.102224

13 marzo 2025

Quantum chemical elucidation of the luminescence mechanism in a europium(iii) co-doped UiO-66 chemosensor selective to mercury(ii)

Yoan Hidalgo

DOI: 10.1039/D4DT03285C

06 marzo 2025

Simulation of the mechanical properties of crystalline diamond nanoparticles with an amorphous carbon shell

Rafael González

DOI: 10.1016/j.diamond.2025.112188

12 febrero 2025

Uncertainty quantification in diffraction gratings: reliability analysis using a reduced basis method

Gerardo Silva-Oelker

DOI: 10.1364/JOSAA.547823

10 febrero 2025

Exploring the Potential of Glutathione Reductase Overexpression to Improve Tellurium Nanoparticle Production in Escherichia coli

Fabián Ávila

DOI: 10.3390/ijms26041549

26 enero 2025

Improved fouling resistance in polysulfone-based ultrafiltration membranes by the addition of polar peptoid oligomers obtained from Ugi-4CR. Synthesis and characterization

Pablo Ortiz

DOI: 10.1016/j.polymer.2025.128090

26 enero 2025

MXene-enhanced nanofluids for superior thermal energy storage in concentrated solar power plants

Fabiola Pineda , Rafael González , Paulina Ríos

DOI: 10.1016/j.solmat.2025.113461

22 enero 2025

Insight mechanisms of complex roughening dynamics and investigation of fractal parameters, optical constant, and dispersion parameters of CdS thin films for p-n (n-CdS/p-Si) heterojunction-based photodetector

Jorge Morales , Gerardo Silva-Oelker

DOI: 10.1007/s42247-025-01018-7

14 enero 2025

Numerical study of high-temperature, disk-based tungsten and molybdenum thermophotovoltaic selective thermal emitters

Gerardo Silva-Oelker

DOI: 10.1364/OE.545130

19 diciembre 2024

Novel Co-Polyamides Containing Pendant Phenyl/Pyridinyl Groups with Potential Application in Water Desalination Processes

Pablo Ortiz

DOI: 10.3390/polym17020208

12 diciembre 2024

Carbon black as a modifier for a cheap carbon paper disposable electrode for the determination of zaleplon in synthetic saliva

L. Carolina Espinoza

DOI: 10.1007/s10800-024-02240-7

30 noviembre 2024

Impedimetric Sensor for SARS-CoV-2 Spike Protein Detection: Performance Assessment with an ACE2 Peptide-Mimic/Graphite Interface

Manuel Ahumada

DOI: 10.3390/bios14120592

21 noviembre 2024

Exploring electronic structure and photophysical properties of metalloporphyrin-based metal–organic frameworks for photocatalysis: A quantum chemistry study

Yoan Hidalgo

DOI: 10.1016/j.inoche.2024.113635

18 noviembre 2024

Valorization of brewer's spent grain via systematic study of KOH activation parameters and its potential application in energy storage

Daniela Alburquenque

DOI: 10.1016/j.biombioe.2024.107494

15 noviembre 2024

Treated greywater as a novel water resource: The perspective of greywater treatment for reuse from a bibliometric analysis

L. Carolina Espinoza

DOI: 10.2166/wst.2024.384

29 octubre 2024

Tuning the Electronic Bandgap of Penta-Graphene from Insulator to Metal Through Functionalization: A First-Principles Calculation

Jorge Morales , Gerardo Silva-Oelker

DOI: 10.3390/nano14211751

09 octubre 2024

Salmon-IgM Functionalized-PLGA Nanosystem for Florfenicol Delivery as an Antimicrobial Strategy against Piscirickettsia salmonis

Manuel Ahumada

DOI: 10.3390/nano14201658

09 septiembre 2024

Catalytic evaluation of MOF-808 with metallic centers of Zr(iv), Hf(iv) and Ce(iv) in the acetalization of benzaldehyde with methanol

Yoan Hidalgo

DOI: 10.1039/D4DT01959H

06 septiembre 2024

Incorporation of Water-Soluble Quantum Dots and Formation of Wrinkled Patterns on Acrylic and Silicone Elastomers

Diego Guzmán

DOI: 10.1021/acsomega.4c04071

18 agosto 2024

Study of heavy metals adsorption using a silicate-based material: Experiments and theoretical insights

Yoan Hidalgo

DOI: 10.1016/j.chphi.2024.100714

06 agosto 2024

Assessment of Ti, Ir, Ta and Ru influence on mixed metal oxide electrodes for photoelectrochemical generation of persulfate: Impact on sulfamethoxazole degradation

L. Carolina Espinoza

DOI: 10.1016/j.chemosphere.2024.143049

14 junio 2024

Use of photosensitive molecules in the crosslinking of biopolymers: applications and considerations in biomaterials development

Manuel Ahumada

DOI: 10.1039/D4TB00299G

09 junio 2024

Perspectives on Solar Salt‐Based Nanofluids Used in Concentrated Solar Power Plants

Fabiola Pineda

DOI: 10.1002/solr.202400110

05 junio 2024

Tunable Optical Properties of Isoreticular UiO-67 MOFs for Photocatalysis: A Theoretical Study

Yoan Hidalgo

DOI: 10.1039/D4DT01017E

02 junio 2024

Assessing the electronic properties of bimetallic complexes with N-M-N-M cycle (M = Ag, Au and Cu)

Yoan Hidalgo

DOI: 10.1016/j.comptc.2024.114681

31 mayo 2024

Quaternary nitrate and chloride molten salts for the next concentrating solar power plants: Corrosion considerations for the use of AISI 304L steel

Fabiola Pineda

DOI: 10.1016/j.solmat.2024.112971

27 mayo 2024

Adsorption properties of M-UiO-66 (M = Zr(iv); Hf(iv) or Ce(iv)) with BDC or PDC linker

Yoan Hidalgo

DOI: 10.1039/D4DT00941J

23 mayo 2024

Methylxanthines for halogen bonded cocrystals with 1, 4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies

Yoan Hidalgo

DOI: 10.1039/D4CE00138A

23 abril 2024

Furfural adsorption on V2O5 surface: A combined experimental-theoretical study

Yoan Hidalgo

DOI: 10.1016/j.cplett.2024.141288

10 abril 2024

Mimicking the Physicochemical Properties of the Cornea: A Low-Cost Approximation Using Highly Available Biopolymers

Manuel Ahumada

DOI:10.3390/polym16081118

28 marzo 2024

Mg–Al LDH nanosheets as a nanotechnological tool in agriculture: an exploratory toxicity evaluation study

Manuel Ahumada

DOI: 10.1039/D3EN00733B

06 enero 2024

Oxidative stress promotes cytotoxicity in human cancer cell lines exposed to Escallonia spp. extracts

Manuel Ahumada

DOI: 10.1186/s12906-024-04341-4

12 diciembre 2023

Transforming Academic Research: A Business Model for Chemical-Computational Laboratory

DOI: 10.18421/TEM131-12

30 noviembre 2023

Plasticity in diamond nanoparticles: dislocations and amorphization during loading and dislocation multiplication during unloading

Rafael González

DOI: 10.1007/s10853-023-09223-7

15 noviembre 2023

Ionenes as Potential Phase Change Materials with Self-Healing Behavior

Pablo Ortiz

DOI: 10.3390/polym15224460

06 noviembre 2023

High-entropy alloys: A review of their performance as promising materials for hydrogen and molten salt storage

Fabiola Pineda

DOI: 10.1515/rams-2023-0150

03 octubre 2023

Poly (ethylene imine)-chitosan carbon dots: study of its physical–chemical properties and biological in vitro performance

Manuel Ahumada

DOI: 10.1186/s11671-023-03907-4

20 septiembre 2023

Toxicity mechanisms of graphene oxide and cadmium in Microcystis aeruginosa: evaluation of photosynthetic and oxidative responses

Pamela Sepúlveda

DOI: 10.1016/j.aquatox.2023.106703

13 septiembre 2023

Impact of internal structure on aggregate collisions

DOI: 10.1093/mnras/stad2828

06 septiembre 2023

Fast Simultaneous Electrochemical Detection of Bisphenol-A and Bisphenol-S in Urban Wastewater using a Graphene Oxide-Iron Nanoparticles Hybrid Sensor

Pamela Sepúlveda

DOI: 10.1016/j.electacta.2023.143164

28 agosto 2023

Spin-lattice-dynamics analysis of magnetic properties of iron under compression

DOI: 10.1038/s41598-023-41499-2

18 agosto 2023

Alumoxane film for corrosion protection of 2024 aluminum alloy

Fabiola Pineda

DOI: 10.1016/j.jmrt.2023.08.192

22 julio 2023

Electrochemical fabrication of nanowires poly (Indole-6-carboxylic acid) adorned with nanorod MnO2 for evaluation of its capacitive properties

DOI: 10.1016/j.electacta.2023.142937

20 julio 2023

Cellular Automata Modeling as a Tool in Corrosion Management

Fabiola Pineda

DOI: 10.3390/ma16176051

12 julio 2023

Development of Novel Phase-Change Materials Derived from Methoxy Polyethylene Glycol and Aromatic Acyl Chlorides

Pablo Ortiz

DOI: 10.3390/polym15143069

12 junio 2023

Simulated nanoindentation into single-phase fcc Fe x Ni 1-x alloys predicts maximum hardness for equiatomic stoichiometry

DOI: 10.1038/s41598-023-36899-3

06 junio 2023

Do dislocations always decrease thermal conductivity?

DOI: 10.1016/j.ijthermalsci.2023.108474

29 mayo 2023

Probing radiation resistance in simulated metallic core–shell nanoparticles

Rafael González

DOI: 10.1016/j.commatsci.2023.112304

22 mayo 2023

Model based on COVID-19 evidence to predict and improve pandemic control

Rafael González

DOI: 10.1371/journal.pone.0286747

12 mayo 2023

MultiSOM: Multi-layer Self Organizing Maps for local structure identification in crystalline structures

DOI: 10.1016/j.commatsci.2023.112263

27 abril 2023

Application of CdTe quantum dots sensitized titanate nanotubes in photocatalytic degradation of organic pollutants under visible light irradiation

Diego Guzmán

DOI: 10.1016/j.jece.2023.110025

27 abril 2023

Plastic behavior of a nanoporous high-entropy alloy under compression

Rafael González

DOI: 10.1016/j.commatsci.2023.112241

11 abril 2023

Stability of ACE2 Peptide Mimetics and Their Implications on the Application for SARS-CoV2 Detection

Manuel Ahumada

DOI: 10.3390/bios13040473

11 abril 2023

Nanoporous Amorphous Carbon with Exceptional Ultra-High Strength

Rafael González

DOI: 10.3390/nano13081429

13 febrero 2023

Influence of grain size on mechanical properties of a refractory high entropy alloy under uniaxial tension

DOI: 10.3390/cryst13020357

11 febrero 2023

A Monte Carlo code for the collisional evolution of porous aggregates (CPA)

DOI: 10.1051/0004-6361/202243069

25 enero 2023

Silver nanoparticle’s size and morphology relationship with their electrocatalysis and detection properties

Fabián Ávila , Manuel Ahumada

DOI: 10.1016/j.apsusc.2023.156584

23 enero 2023

Rhenium-Based Electrocatalysts for Water Splitting

DOI: 10.1021/acsmaterialsau.2c00077

11 diciembre 2022

Capacitors Based on Polypyrrole Nanowire Electrodeposits

DOI: 10.3390/polym14245476

06 octubre 2022

Atomistic simulations of tensile deformation of a nanoporous high-entropy alloy

Rafael González

DOI: 10.1007/s10853-022-07862-w

27 septiembre 2022

Ag@Au bimetallic nanoparticles: an easy and highly reproducible synthetic approach for photocatalysis

Manuel Ahumada

DOI: 10.1039/D2NA00539E

13 agosto 2022

Enhancing the Thermal Conductivity of Amorphous Carbon with Nanowires and Nanotubes

Rafael González

DOI: 10.3390/nano12162835

09 agosto 2022

New polyimides containing methyl benzamidobenzoate or dimethyl benzamidoisophthalate as bulky pendant groups. Effects on solubility, thermal and gas transport properties

Pablo Ortiz

DOI: 10.1002/app.53036

04 agosto 2022

Collisions between CO, CO2, H2O and Ar ice nanoparticles compared by molecular dynamics simulation

DOI: 10.1038/s41598-022-18039-5

30 julio 2022

Electrosynthesis of polyindole-carboxylic acids on stainless steel and their corrosion protection at different temperatures in acidic solution

Fabiola Pineda

DOI: 10.1016/j.porgcoat.2022.107075

26 julio 2022

Atomistic simulations of ductile failure in a BCC high-entropy alloy

DOI: 10.1007/s44210-022-00004-6

22 junio 2022

Synthesis of dimethyl- and diphenylsilane-based oligo(azine)s: Thermal, optical, electronic, and morphological properties

Pablo Ortiz

DOI: 10.1002/app.52911

10 junio 2022

On the mechanical response in nanoalloys: the case of NiCo

DOI: 10.1039/D2FD00111J

24 mayo 2022

Interactions of Gas Particles with Graphene during High-Throughput Compressible Flow Exfoliation: A Molecular Dynamics Simulations Study

Rafael González

DOI: 10.1021/acs.jpcc.2c00425

24 mayo 2022

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

DOI: 10.1016/j.commatsci.2022.111483

17 mayo 2022

Surface enhanced fluorescence effect improves the in vivo detection of amyloid aggregates

DOI: 10.1016/j.nano.2022.102569

16 mayo 2022

Serological study of CoronaVac vaccine and booster doses in Chile: immunogenicity and persistence of anti-SARS-CoV-2 spike antibodies

Rafael González

DOI: 10.1186/s12916-022-02406-0

12 mayo 2022

Simulations of plasticity in diamond nanoparticles showing ultrahigh strength

Rafael González

DOI: 10.1016/j.diamond.2022.109109

10 mayo 2022

Mechanism of voltage sensing in Ca2+ -and voltage-activated K+ (BK) channels

DOI: 10.1073/pnas.2204620119

21 abril 2022

Peptide Targeted Gold Nanoplatform Carrying miR-145 Induces Antitumoral Effects in Ovarian Cancer Cells

DOI: 10.3390/pharmaceutics14050958

24 marzo 2022

Endogenous pannexin1 channels form functional intercellular cell–cell channels with characteristic voltage-dependent properties

DOI: 10.1073/pnas.2202104119

06 marzo 2022

Nanoindentation of nanoporous tungsten: A molecular dynamics approach

Rafael González

DOI: 10.1016/j.commatsci.2022.111336

23 febrero 2022

Inducing a topological transition in graphene nanoribbon superlattices by external strain

Rafael González

DOI: 10.1039/D2CP00038E

17 febrero 2022

Biodegradable gelatin-based films with nisin and EDTA that inhibit Escherichia coli

Pablo Ortiz

DOI: 10.1371/journal.pone.0264851

13 febrero 2022

Influence of vacancies on the temperature-dependent magnetism of bulk Fe: A spin-lattice dynamics approach

DOI: 10.1016/j.cocom.2022.e00662

03 febrero 2022

Enhancing the magnetic response on polycrystalline nanoframes through mechanical deformation

DOI: 10.1038/s41598-022-09647-2

23 enero 2022

Evaluation of flow accelerated corrosion and mechanical performance of martensitic steel T91 for a ternary mixture of molten salts for CSP plants

Fabiola Pineda

DOI: 10.1016/j.solmat.2022.111623

05 enero 2022

Compatibility of alumina forming alloys with LiNO3-containing molten salts for solar thermal plants

Fabiola Pineda

DOI: 10.1016/j.est.2022.103988

29 diciembre 2021

Nanoparticle Shape Influence over Poly(lactic acid) Barrier Properties by Molecular Dynamics Simulations

Rafael González

DOI: 10.1021/acsomega.1c04589

22 diciembre 2021

Evolution of corrosion products on ASTM A36 and AISI 304L steels formed in exposure to molten NaNO3–KNO3 eutectic salt: Electrochemical study

Fabiola Pineda

DOI: 10.1016/j.corsci.2021.110047

16 diciembre 2021

Cytocompatible drug delivery hydrogels based on carboxymethylagarose/chitosan pH-responsive polyelectrolyte complexes

Manuel Ahumada

DOI: 10.1016/j.ijbiomac.2021.12.093

06 diciembre 2021

Charge Storage and Solar Rechargeable Battery Devices Based on Electrodes Electrochemically Modified with Conducting Polymer Nanowires

DOI: 10.3390/polym13244375

04 diciembre 2021

Peripheral Collisions of Ice-covered Silica Dust Grains

DOI: 10.3847/1538-4357/ac403d

10 noviembre 2021

Hydrogen Productivity Analysis Using Low Concentration of TiO2–Au Nanoparticles on a Ultraviolet-LED-Based Photocatalytic Reactors

Diego Guzmán

DOI: 10.1002/ente.202100469

04 noviembre 2021

Soft or Hard? investigating the deformation mechanisms of au–pd and Pd nanocubes under compression: an experimental and molecular dynamics study

DOI: 10.1021/acs.jpcc.1c07685