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Condensed Matter

Condensed Matter is an international, peer-reviewed, open access journal on the physics of condensed matter published quarterly online by MDPI.

All Articles (637)

Insights into Neutral vs. Deprotonated Phenol Adsorption on Graphene Oxide

  • Jeton Halili,
  • Kledi Xhaxhiu and
  • Avni Berisha
  • + 4 authors

Water pollution from phenols remains a critical concern due to their persistence, toxicity, and industrial prevalence. Graphene oxide (GOx), with its functional groups and large surface area, offers strong adsorption potential. Using density functional theory (DFT), reduced density gradient (RDG), and quantitative structure–activity relationship (QSAR), we examined how protonation and substituents influence phenol adsorption. Deprotonated phenolates bind more strongly to GO than neutral species via electrostatics and H-bonding. Substituents alter affinity: halogens enhance it, bulky alkyls hinder it, and nitro groups show electron-withdrawing effects. Bisphenolate A displayed multidentate binding. QSAR models reproduced DFT energies with R2 > 0.99, enabling fast prediction. These results highlight how pH speciation and substituents govern adsorption on GO, guiding the design of efficient water treatment materials.

6 February 2026

Frontier orbitals (HOMO and LUMO) and electrostatic potential (ESP) surfaces of phenols and their corresponding phenolates. The panels compare phenol, 4-nitrophenol (4-NP), 2,4-dichlorophenol (2,4-DCP), and bisphenol A (BPA).

Strong electron correlation plays a central role in the high-temperature superconductivity (HTSC) of cuprates. However, to date, research has focused only on its role in spin dynamics and related effects, even though it is becoming increasingly clear that spin alone may not be sufficient to create HTSC. Here, we discuss a possible role of electron correlation in the Bose–Einstein condensation (BEC) of Cooper pairs. Recently, we succeeded in observing dynamic electron correlation via inelastic X-ray scattering through results presented in real space. We discovered that electron correlations are strongly modified in the plasmon, proving that electron dynamics significantly affect electron correlation. Earlier, we found that in 4He, the atom–atom distance in the BE condensate is 10% longer than that in the non-condensate. These results suggest the possibility that the reduction in electron-repulsion energy upon BEC is driving Tc to high values. Thus, electron correlation itself could be the origin of the HTSC phenomenon.

30 January 2026

Electronic energy-resolved dynamic PDF of beryllium [46]. Features below 1 Å are due to self-part (single particle excitations). The negative part below 2 Å signifies the exchange-correlation hole, which is extended at the plasmon energy of 21 eV.

The implementation of FLASH Radiotherapy (FLASH-RT), characterized by ultra-high dose rates (UHDRs) frequently exceeding 106 Gy/s in microsecond pulses, imposes stringent requirements on real-time dosimetry. Conventional ionization chambers suffer severe ion recombination and space-charge limitations under these conditions. This review summarizes the state of SSD technologies—including conventional standard silicon diodes, advanced SiC diodes, Low-Gain Avalanche Detectors (LGADs), and pixel detectors—and compares their performance, linearity, and dynamic range in UHDR environments. Particular attention is devoted to operational modes (integrating vs. counting), saturation mechanisms, and readout electronics, which frequently dominate detector behavior at FLASH conditions. We discuss the experimental results from recent UHDR beamlines and highlight emerging concepts that will shape future clinical translation.

23 January 2026

Schematic representation of beam temporal microstructures. (A) Electron beams from linacs: The radiation is delivered in microsecond-scale macropulses (typically 1–5 
  μ
s) at a repetition rate of 100–1000 Hz. Within each macropulse, the beam consists of a train of picosecond-scale RF micropulses (bunches) separated by approximately 350 ps (for a standard 2856 MHz S-band linac). Proton beams: (B) isochronous cyclotrons (top) produce a quasi-continuous beam consisting of nanosecond-scale pulses at high frequencies (tens of MHz). (C) Synchrotrons (bottom) extract the beam in long spills (0.5–2 s), which also contain a nanosecond-scale substructure due to the RF cavity bucket dynamics.

Hydrogen is frequently incorporated in alkaline-earth oxides during crystal growth or post-deposition annealing. For MgO, several studies in the past showed that interstitial monatomic hydrogen can also favourably bind with oxygen vacancies to form stable substitutional defect complexes (substitutional hydrogen or U-defect centers). The present study reports first-principles density-functional calculations of the formation energies of both interstitial and substitutional forms of the hydrogen impurity in MgO. Determination of the site-resolved densities of electronic states allowed for a detailed identification of the nature of the impurity-induced levels, both in the valence-energy region and inside the band gap of the host. The stability and diffusion mechanisms of both hydrogen defects was also studied with the aid of nudged elastic-band (NEB) calculations. Interstitial hydrogen was found to be an amphoteric defect with the lower formation energy for any realistic environment conditions (temperature and oxygen partial pressure). The NEB calculations showed that it is a fast-diffusing species when it is thermodynamically stable as a positively-charged state (bare proton). In contrast, the hydrogen-vacancy complex is a shallow donor, extremely stable against dissociation and virtually immobile as an isolated defect. Its formation is found to be favoured for a range of mid-gap Fermi-level positions where positively-charged interstitial hydrogen and neutral oxygen vacancies (F centers) are both thermodynamically stable low-energy defects. The present findings are consistent with the established consensus on the electrical activity of hydrogen in MgO as well as with experimental observations reporting the remarkable thermal stability of substitutional hydrogen defects and their ability to act as electron traps.

9 January 2026

Atomistic structures and formation energies of the interstitial (a) and substitutional (b) hydrogen states in MgO. O: larger blue spheres. Mg: smaller black spheres. H: small red sphere. VO: oxygen-vacancy site (large haloed circle). The formation energies are plotted as a function of the Fermi-level position in the HSE06 gap (7.92 eV). The corresponding chemical potentials were obtained for T = 1200 K, 
  
    P
    
      H
      2
    
  
 = 1 atm, and 
  
    P
    
      O
      2
    
  
 = 
  
    10
    
      −
      2
    
  
 atm. The dotted red lines for the substitutional-hydrogen state, 
  
    H
    
      s
    
    +
  
, mark the corresponding energies for 
  
    P
    
      O
      2
    
  
 equal to 1 atm and 10−15 atm (higher and lower energy, respectively). The charge-transition (pinning) level (+/−) is depicted by the vertical dotted line. The reference (zero) value for the Fermi level is set by the energy of the valence-band maximum (VBM), EVBM, of the bulk MgO supercell.

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Condens. Matter - ISSN 2410-3896