Materials Chemistry papers

Pofolia’s corpus holds 109 papers from Materials Chemistry (2012–2026), each with a short summary. Below, the 20 most-cited, then the most recently added.

At a glance

• Most cited: Crystal structure refinement withSHELXL (2014, 42,755 citations).
• The 20 papers listed have 205,730 citations between them.
• 15 of the 17 with a known journal quartile appeared in a Q1 journal.
• 6 have a free full text (open access).
• Most frequent journals: ACS Nano, Chemical Reviews, Journal of Applied Crystallography.
• Published between 2012 and 2021.

Most cited

Ranked by citation count. Because citations accumulate over time, this list naturally leans towards work published a few years ago; for where the field is now, see “recently added”. How to read the signals

• Crystal structure refinement withSHELXL

  Acta Crystallographica Section C Structural Chemistry · 2014 · Q3 · FWCI 685.00 · 42,755 citations · Open access

  The crystal structure refinement program SHELXL has been significantly updated to integrate seamlessly with the CIF format, simplifying data archiving and enabling refinement against neutron diffraction data, improved H atom treatment, and handling of twinned/disordered structures.

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• SHELXT– Integrated space-group and crystal-structure determination

  Acta Crystallographica Section A Foundations and Advances · 2014 · Q2 · FWCI 300.67 · 28,816 citations · Open access

  The new SHELXT program uses a novel dual-space algorithm to solve crystal structures by determining space groups and phases, even with missing data.

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• Computer Simulation of Liquids

  2017 · FWCI 239.62 · 20,972 citations

  This book offers a practical guide to molecular dynamics and Monte Carlo simulation techniques for modeling liquids, explaining how simulation programs work, how to use them, and how to interpret results.

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• WinGXandORTEP for Windows: an update

  Journal of Applied Crystallography · 2012 · Q1 · FWCI 390.09 · 11,851 citations

  The WinGX suite and ORTEP for Windows have been updated, offering a comprehensive, user-friendly interface for small-molecule single-crystal diffraction data analysis and visualization.

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• LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

  Computer Physics Communications · 2021 · Q1 · SJR 1.00 · FWCI 421.54 · 11,743 citations · Open access

  LAMMPS, an open-source particle-based simulation tool released in 2004, has grown to one million lines of code and is widely used for materials modeling across atomic to continuum scales.

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• Aggregation-Induced Emission: Together We Shine, United We Soar!

  Chemical Reviews · 2015 · Q1 · SJR 16.00 · FWCI 217.53 · 8,155 citations

  Aggregation-induced emission (AIE) is a phenomenon where molecules that are non-emissive in solution become highly emissive when aggregated.

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• Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

  Acta Crystallographica Section D Structural Biology · 2019 · Q1 · SJR 1.00 · FWCI 211.79 · 7,467 citations · Open access

  The Phenix software package has been updated to handle data from X-ray, neutron, and electron diffraction, as well as cryo-electron microscopy, for macromolecular structure determination.

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• 2D materials and van der Waals heterostructures

  Science · 2016 · Q1 · SJR 10.00 · FWCI 243.42 · 7,306 citations · Open access

  Two-dimensional (2D) materials enable the creation of van der Waals heterostructures with precisely engineered properties by stacking different atomic layers, offering a flexible platform for novel functionalities.

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• Nanoparticles: Properties, applications and toxicities

  Arabian Journal of Chemistry · 2017 · FWCI 95.68 · 6,885 citations

  This review details the synthesis, properties, and diverse applications of nanoparticles (NPs), which range from 1 to 100 nm and exhibit unique size-dependent optical and chemical characteristics.

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• Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

  ACS Nano · 2014 · Q1 · SJR 4.00 · FWCI 243.83 · 6,453 citations

  Researchers introduce phosphorene, a new 2D semiconductor derived from black phosphorus, exhibiting a tunable direct band gap and high hole mobility.

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• 25th Anniversary Article: MXenes: A New Family of Two‐Dimensional Materials

  Advanced Materials · 2013 · Q1 · SJR 8.00 · FWCI 44.11 · 6,308 citations

  MXenes, a new class of 2D materials derived from MAX phases, combine metallic conductivity with hydrophilic surfaces, behaving like 'conductive clays'.

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• GSAS-II: the genesis of a modern open-source all purpose crystallography software package

  Journal of Applied Crystallography · 2013 · Q1 · FWCI 17.75 · 5,974 citations

  GSAS-II is a new, open-source crystallography software package designed for comprehensive data reduction, structure solution, and refinement using various diffraction data types and sources. It aims to replace existing GSAS and EXPGUI packages.

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• Towards automated crystallographic structure refinement with phenix.refine

  Acta Crystallographica Section D Biological Crystallography · 2012 · FWCI 77.75 · 5,756 citations · Open access

  The phenix.refine program offers extensive automation and customization for crystallographic structure refinement, integrating with the broader PHENIX suite for model building, validation, and deposition.

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• Carbon Nanotubes: Present and Future Commercial Applications

  Science · 2013 · Q1 · SJR 10.00 · FWCI 200.56 · 5,524 citations

  Carbon nanotubes (CNTs) are now produced in thousands of tons annually and integrated into diverse products like batteries, automotive parts, and sporting goods.

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• Coupled Spin and Valley Physics in Monolayers ofMoS2and Other Group-VI Dichalcogenides

  Physical Review Letters · 2012 · Q1 · SJR 2.00 · FWCI 90.48 · 5,070 citations

  Researchers have demonstrated coupled spin and valley physics in 2D materials like MoS2, enabling control over spin and valley properties. This coupling suppresses relaxation, allowing for unique optical control and potential integration of spintronics and valleytronics.

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• Recent Advances in Ultrathin Two-Dimensional Nanomaterials

  Chemical Reviews · 2017 · Q1 · SJR 16.00 · FWCI 212.21 · 5,060 citations

  This review summarizes recent progress in ultrathin two-dimensional (2D) nanomaterials, highlighting their unique properties and diverse applications.

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• MolProbity: More and better reference data for improved all‐atom structure validation

  Protein Science · 2017 · Q1 · SJR 3.00 · FWCI 64.33 · 4,998 citations

  MolProbity has been significantly updated with infrastructure improvements and new validation tools, leading to continued improvement in the quality of newly deposited macromolecular structures.

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• Guidelines for Synthesis and Processing of Two-Dimensional Titanium Carbide (Ti3C2Tx MXene)

  Chemistry of Materials · 2017 · Q1 · SJR 1.00 · FWCI 80.77 · 4,910 citations

  This paper details experimental methods and best practices for synthesizing and processing the most studied MXene, titanium carbide (Ti3C2Tx), explaining how synthesis parameters influence flake size and quality.

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• Carbon quantum dots and their applications

  Chemical Society Reviews · 2014 · Q1 · SJR 11.00 · FWCI 107.47 · 4,873 citations

  Carbon quantum dots (CQDs), a novel class of fluorescent carbon nanomaterials, offer advantages like low toxicity and cost-effectiveness over traditional semiconductor quantum dots.

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• Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene

  ACS Nano · 2013 · Q1 · SJR 4.00 · FWCI 163.25 · 4,854 citations

  Beyond graphene, stable 2D materials like transition metal dichalcogenides offer tunable electronic properties and diverse applications in transistors, spintronics, and topological insulators.

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Recently added

• Differential Coupling of Nanoparticle Translational and Rotational Diffusion to Polymer Relaxation Modes in Unentangled Polymer Melts

  Macromolecules · 2026 · Q1 · SJR 1.00

  Nanoparticle (NP) diffusion in polymer melts breaks down Stokes-Einstein relations for NP diameters smaller than a characteristic length, with translational diffusion linked to polymer chain size and rotational diffusion to contour length.

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• Interfacial Control of Hot-Carrier Extraction and Photostability in Two-Dimensional Materials

  ACS Nano · 2026 · Q1 · SJR 4.00

  Discontinuous 2D material contacts on rough metal surfaces generate larger photocurrents and enhance photostability by suppressing recombination-driven degradation, eliminating the need for encapsulation.

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• Mechanism of crevice corrosion in historic riveted steel structures

  Communications Engineering · 2026 · Q1 · SJR 1.00

  A coupled electrochemical and thermodynamic model reveals that crevice corrosion in riveted steel structures is driven by a migrating cascade of Fe(II)/Fe(III) reactions, creating distinct acidic and alkaline zones.

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• Broadband and tunable near-infrared emission of CaMg2Al16O27:Fe3+ with multi-site engineering

  Optics & Laser Technology · 2026 · Q1

  CaMg2Al16O27:Fe3+ phosphors exhibit broadband near-infrared (NIR) emission from 650-890 nm, with peaks at ~750 nm and 808 nm, due to Fe3+ ions occupying tetrahedral and octahedral sites.

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• Visualizing Heteroepitaxy of Angle-Oriented GeSe/WSe2 Heterostructures for Near-Infrared Ultrasensitive Photodetectors

  Nano Letters · 2026 · Q1 · SJR 2.00

  A visualized, symmetry-guided heteroepitaxy strategy enables precise angle control of GeSe on WSe2, leading to near-infrared photodetectors with a maximum responsivity of 823.8 A/W.

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• Kirkendall Effect-Driven Construction of Hollow Rare-Earth Silicate Nanospheres for Drug Loading

  Inorganic Chemistry · 2026 · Q1

  A new bottom-up synthesis strategy uses the Kirkendall effect to create hollow rare-earth silicate nanospheres (approx. 50 nm voids) for drug delivery and X-ray-induced photodynamic therapy.

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• Large strain and high reversible dielectric tunability in Sm-modified PMN-PT ceramics

  Nature Communications · 2026 · Q1 · SJR 4.00

  A Sm-doped Pb(Mg1/3Nb2/3)1-xTixO3 (PMN-PT) composition near the relaxor crossover (x=0.16) achieves 0.31% strain and 76.4% reversible dielectric tunability under 2 kV/mm, balancing actuation and dielectric agility.

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• Kinetic interacting particle Langevin Monte Carlo

  Statistics and Computing · 2026 · Q1

  New Kinetic Interacting Particle Langevin Monte Carlo (KIPLMC) methods accelerate statistical inference in latent variable models by jointly evolving parameters and latent variables.

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Journals in this field

The journals that publish most of this field’s papers. Quartile (Q1–Q4), SJR and h-index are from SCImago Journal Rank; “in this field” is how many of the journal’s pooled papers belong here. What is a Q1 journal? · What is the h-index?

Every journal in Materials Chemistry (Q1–Q4) →

Other subfields in Materials Science

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