Materials Science papers

Pofolia organises Materials Science into 3 subfields: 175 papers in total (2012–2026), each with a short summary. The subfields come first, then the most-cited work across the whole field.

Subfields

• Electronic, Optical and Magnetic Materials 70 papers
• Materials Chemistry 78 papers
• Metals and Alloys 27 papers

At a glance

• Most cited: Crystal structure refinement withSHELXL (2014, 42,755 citations).
• The 12 papers listed have 171,527 citations between them.
• 8 of the 10 with a known journal quartile appeared in a Q1 journal.
• 4 have a free full text (open access).
• Most frequent journals: ACS Nano, Acta Crystallographica Section A Foundations and Advances, Acta Crystallographica Section C Structural Chemistry.
• Published between 2012 and 2021.

Most cited across the field

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”.

• 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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• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

  APL Materials · 2013 · Q1 · 12,816 citations · Open access

  The Materials Project, a Materials Genome Initiative program, leverages high-throughput computing to generate and provide an open dataset of properties for all known inorganic materials.

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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

  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

  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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