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34 Results Found

  • Article
  • Open Access
6 Citations
2,957 Views
19 Pages

Molecular Dynamics Simulation of the Thermal Behavior of Hydroxyapatite

  • Ilya Likhachev,
  • Nikolay Balabaev,
  • Vladimir Bystrov,
  • Ekaterina Paramonova,
  • Leon Avakyan and
  • Natalia Bulina

29 November 2022

Hydroxyapatite (HAP) is the main mineral component of bones and teeth. Due to its biocompatibility, HAP is widely used in medicine as a filler that replaces parts of lost bone and as an implant coating that promotes new bone growth. The modeling and...

  • Article
  • Open Access
120 Views
16 Pages

Defect-Selective Luminescence in Hydroxyapatite Under Electron and Gallium Ion Beams

  • Verónica J. Huerta,
  • Fabián Martínez,
  • Hanna M. Ochoa,
  • Olivia A. Graeve and
  • Manuel Herrera-Zaldívar

13 January 2026

We report a defect-selective luminescence response in calcium-deficient hydroxyapatite (HAp) induced by electron and ion irradiation. Compacted HAp pellets prepared from hydrothermally grown nanofibers were investigated to analyze defect-related lumi...

  • Feature Paper
  • Article
  • Open Access
12 Citations
3,412 Views
17 Pages

Unraveling the Reaction Mechanism of HCHO Catalytic Oxidation on Pristine Co3O4 (110) Surface: A Theoretical Study

  • Rong Li,
  • Tingting Huang,
  • Yu Huang,
  • Meijuan Chen,
  • Shun-cheng Lee,
  • Wingkei Ho and
  • Junji Cao

19 May 2022

Various reaction mechanisms for the catalytic degradation of formaldehyde (HCHO) remain to be debated. Density functional theory (DFT) was applied to investigate whether the catalytic oxidation of HCHO on pristine Co3O4 (110) surface follows the Mars...

  • Feature Paper
  • Article
  • Open Access
12 Citations
3,513 Views
12 Pages

10 January 2022

In this work, the H2 dissociation and acetylene hydrogenation on Cu doped CeO2(111) were studied using density functional theory calculations. The results indicated that Cu doping promotes the formation of oxygen vacancy (Ov) which creates Cu/O and C...

  • Article
  • Open Access
4 Citations
1,177 Views
14 Pages

Defect-Rich Co(OH)2 Induced by Carbon Dots for Oxygen Evolution Reaction

  • Xuan Han,
  • Chao Guo,
  • Hui Wang,
  • Weijuan Xu,
  • Qinlian Liu,
  • Qingshan Zhao and
  • Mingbo Wu

26 February 2025

Hydrogen production from water electrolysis offers a highly promising and sustainable route to solve the energy crisis. However, it is severely limited by the sluggish kinetics of the oxygen evolution reaction (OER) occurring on the anode. Herein, em...

  • Article
  • Open Access
21 Citations
4,552 Views
19 Pages

Role of the Hydroxyl Groups Coordinated toTiO2 Surface on the Photocatalytic Decomposition of Ethylene at Different Ambient Conditions

  • Piotr Rychtowski,
  • Beata Tryba,
  • Agnieszka Skrzypska,
  • Paula Felczak,
  • Joanna Sreńscek-Nazzal,
  • Rafał Jan Wróbel,
  • Hiroyasu Nishiguchi and
  • Masahiro Toyoda

30 March 2022

The titania pulp—a semi product received from the industrial production of titania white—was submitted for the thermal heating at 400–600 °C under Ar and H2 to obtain TiO2 with different structure and oxygen surface defects. Hea...

  • Article
  • Open Access
97 Citations
6,991 Views
15 Pages

10 February 2020

In this study, the adsorption performances of graphene before and after modification to H2S and CH4 molecules were studied using first principles with the density functional theory (DFT) method. The most stable adsorption configuration, the adsorptio...

  • Article
  • Open Access
1 Citations
1,671 Views
13 Pages

Facile Construction Engineering of Pr6O11@C with Efficient Photocatalytic Activity

  • Guoju Chang,
  • Longzhong Ma,
  • Yanhong Tu,
  • Chenxin Mao,
  • Paolo Aprea and
  • Shiyou Hao

29 July 2024

In this study, facile construction engineering of Pr6O11@C with efficient photocatalytic activity was established. Taking advantage of the flocculation of Pr3+ in the base medium, acid red 14 (AR14) was flocculated together with Pr(OH)3 precipitate,...

  • Article
  • Open Access
7 Citations
2,492 Views
14 Pages

Free Volume and Water Sorption by Cellulose Esters

  • Anatoly E. Chalykh,
  • Ivan I. Bardyshev and
  • Tatiana F. Petrova

9 August 2021

The results ofthe sorption properties of cellulose acetate (CA) with different degrees of substitution (SD) are summarised. It has been shown that the sorption capacity of CA in water vapour decreases naturally with increasing content of acetate grou...

  • Article
  • Open Access
673 Views
12 Pages

10 November 2025

Interactions of ZnO nanoplates with water are crucial in determining its structure and performance of the catalyst, yet the details for these processes remain missing due to the lack of an effective detection method that provides resolution at the at...

  • Article
  • Open Access
19 Citations
3,541 Views
10 Pages

Thermal Migration Behavior of Na+, Cu2+ and Li+ in Montmorillonite

  • Zhenxiao Wu,
  • Hao Zhao,
  • Xuanping Zhou,
  • Yang Wang,
  • Kesheng Zuo and
  • Hongfei Cheng

13 April 2022

The main aim of this paper is to study the cation fixation sites in montmorillonite after heating at different temperatures. Montmorillonite was used to adsorb cations (Na+, Cu2+ and Li+) in the solution, and the montmorillonite-adsorbed cations were...

  • Article
  • Open Access
3 Citations
3,186 Views
16 Pages

Dehydroxylation of Kaolinite: Evaluation of Activation Energy by Thermogravimetric Analysis and Density Functional Theory Insights

  • Iván Aitor Polcowñuk Iriarte,
  • Anabella Mocciaro,
  • Nicolás Maximiliano Rendtorff and
  • Diego Richard

4 June 2025

During the thermal treatment of kaolinite, the main mineral phase in kaolin rock, dehydroxylation occurs, forming metakaolin through a process that has significant industrial applications. This study experimentally analyzed dehydroxylation in two kao...

  • Article
  • Open Access
20 Citations
3,193 Views
18 Pages

Proton and Oxygen-Ion Conductivities of Hexagonal Perovskite Ba5In2Al2ZrO13

  • Roman Andreev,
  • Daniil Korona,
  • Irina Anokhina and
  • Irina Animitsa

1 June 2022

The hexagonal perovskite Ba5In2Al2ZrO13 and In3+-doped phase Ba5In2.1Al2Zr0.9O12.95 were prepared by the solid-state synthesis method. The introduction of indium in the Zr-sublattice was accompanied by an increase in the unit cell parameters: a = 5.9...

  • Article
  • Open Access
4 Citations
2,593 Views
21 Pages

Impact of TiO2 Reduction and Cu Doping on Bacteria Inactivation under Artificial Solar Light Irradiation

  • Piotr Rychtowski,
  • Oliwia Paszkiewicz,
  • Maria Carmen Román-Martínez,
  • Maria Ángeles Lillo-Ródenas,
  • Agata Markowska-Szczupak and
  • Beata Tryba

18 December 2022

Preparation of TiO2 using the hydrothermal treatment in NH4OH solution and subsequent thermal heating at 500–700 °C in Ar was performed in order to introduce some titania surface defects. The highest amount of oxygen vacancies and Ti3+ surf...

  • Article
  • Open Access
29 Citations
7,721 Views
12 Pages

X-ray Photoelectron Spectroscopy (XPS) Analysis of Ultrafine Au Nanoparticles Supported over Reactively Sputtered TiO2 Films

  • Zineb Matouk,
  • Mohammad Islam,
  • Monserrat Gutiérrez,
  • Jean-Jacques Pireaux and
  • Amine Achour

21 October 2022

The impact of a titania (TiO2) support film surface on the catalytic activity of gold nanoparticles (Au NP) was investigated. Using the reactive dc-magnetron sputtering technique, TiO2 films with an amorphous, anatase, and nitrogen-doped anatase crys...

  • Review
  • Open Access
43 Citations
5,345 Views
30 Pages

Simulation and Computer Study of Structures and Physical Properties of Hydroxyapatite with Various Defects

  • Vladimir Bystrov,
  • Ekaterina Paramonova,
  • Leon Avakyan,
  • José Coutinho and
  • Natalia Bulina

17 October 2021

Simulation and computer studies of the structural and physical properties of hydroxyapatite (HAP) with different defects are presented in this review. HAP is a well-known material that is actively used in various fields of medicine, nanotechnology, a...

  • Article
  • Open Access
19 Citations
5,297 Views
8 Pages

The Optical Absorption and Photoluminescence Characteristics of Evaporated and IAD HfO2 Thin Films

  • Mingdong Kong,
  • Bincheng Li,
  • Chun Guo,
  • Peng Zeng,
  • Ming Wei and
  • Wenyan He

HfO2 thin films are extensively applied in optical coatings and microelectronic devices. However, film defects, which are vital to the performance of the thin films, are still under intense investigation. In this work, the absorption, photoluminescen...

  • Article
  • Open Access
9 Citations
3,029 Views
10 Pages

Electroforming-Free Bipolar Resistive Switching Memory Based on Magnesium Fluoride

  • Nayan C. Das,
  • Minjae Kim,
  • Jarnardhanan R. Rani,
  • Sung-Min Hong and
  • Jae-Hyung Jang

30 August 2021

Electroforming-free resistive switching random access memory (RRAM) devices employing magnesium fluoride (MgFx) as the resistive switching layer are reported. The electroforming-free MgFx based RRAM devices exhibit bipolar SET/RESET operational chara...

  • Article
  • Open Access
41 Citations
12,534 Views
22 Pages

17 November 2011

It is demonstrated that the support effects play a crucial role in the gold nanocatalysis. Two types of support are considered—the “inert” support of hexagonal boron nitride (h-BN) with the N and B vacancy defects and the “active” support of rutile T...

  • Article
  • Open Access
7 Citations
2,501 Views
13 Pages

A Novel Functionalized MoS2-Based Coating for Efficient Solar Desalination

  • Qinghong Yu,
  • Qingmiao Wang,
  • Tao Feng,
  • Li Wang and
  • Zhixuan Fan

14 April 2023

Molybdenum disulfide (MoS2) has emerged as a promising photothermal material for solar desalination. However, its limitation in integrating with organic substances constrains its application because of the lack of functional groups on its surface. He...

  • Article
  • Open Access
19 Citations
4,433 Views
15 Pages

Structural Features of Oxyapatite

  • Natalia V. Bulina,
  • Leon A. Avakyan,
  • Svetlana V. Makarova,
  • Igor B. Orehov and
  • Vladimir S. Bystrov

9 January 2023

One of the most widely known representatives of the apatite family is hydroxyapatite, Ca10(PO4)6(OH)2. This mineral is a part of the human dental and bone tissues, and, therefore, is widely used in medicine. Less known is oxyapatite, Ca10(PO4)6O, whi...

  • Article
  • Open Access
115 Citations
11,279 Views
30 Pages

20 December 2022

Oxidation reactions on semiconducting metal oxide (SMOs) surfaces have been extensively worked on in catalysis, fuel cells, and sensors. SMOs engage powerfully in energy-related applications such as batteries, supercapacitors, solid oxide fuel cells...

  • Article
  • Open Access
1 Citations
1,120 Views
12 Pages

Ultrasound-Induced Construction of CuxCo3−xO4/Attapulgite for Catalytic Degradation of Toluene

  • Haitao Zhang,
  • Jian Shi,
  • Chaoya Han,
  • Zhizhao Song,
  • Yao Xiao and
  • Xiazhang Li

6 March 2025

With the increasing demand for air pollution control, the development of efficient and stable catalysts to degrade hazardous VOCs such as toluene has become particularly important. Herein, various copper-doped attapulgite-supported cobalt oxide spine...

  • Article
  • Open Access
7 Citations
5,892 Views
19 Pages

Thermally Stimulated Currents in Nanocrystalline Titania

  • Mara Bruzzi,
  • Riccardo Mori,
  • Andrea Baldi,
  • Ennio Antonio Carnevale,
  • Alessandro Cavallaro and
  • Monica Scaringella

5 January 2018

A thorough study on the distribution of defect-related active energy levels has been performed on nanocrystalline TiO2. Films have been deposited on thick-alumina printed circuit boards equipped with electrical contacts, heater and temperature sensor...

  • Article
  • Open Access
14 Citations
3,465 Views
15 Pages

Partially Reduced Ni-NiO-TiO2 Photocatalysts for Hydrogen Production from Methanol–Water Solution

  • Helena Drobná,
  • Vendula Meinhardová,
  • Lada Dubnová,
  • Kateřina Kozumplíková,
  • Martin Reli,
  • Kamila Kočí and
  • Libor Čapek

28 January 2023

The study compares the photocatalytic behavior of TiO2, NiO-TiO2, and Ni-NiO-TiO2 photocatalysts in photocatalytic hydrogen production from methanol–water solution. TiO2 and NiO-TiO2 photocatalysts with theoretical NiO loading of 0.5, 1.0, and...

  • Feature Paper
  • Article
  • Open Access
3 Citations
2,937 Views
17 Pages

30 July 2023

The 10-Å phase is an important member of the family of dense hydrous magnesium silicates (DHMSs) that play a major role in the water budget in the Earth’s upper mantle. Its nominal composition is usually written as Mg3Si4O10(OH)2·x...

  • Article
  • Open Access
1 Citations
1,224 Views
15 Pages

Contribution of Active Surface of NiFe-Layered Double Hydroxide on the Removal of Methyl Orange

  • Yanping Zhao,
  • Fengzhu Lv,
  • Yanwen Ou,
  • Guocheng Lv and
  • Shifeng Zhao

19 February 2025

Layered double hydroxides (LDHs) have potential applications for pollutant removal. Enhancing their pollutant removal ability by fully utilizing the synergistic effects of physical adsorption and chemical catalysis has received widespread attention....

  • Article
  • Open Access
629 Views
21 Pages

Implications of Isomorphism in the Family of Apatite Compounds

  • Agnieszka Lasota,
  • Mieczysław Gorzelak,
  • Emanuela Bis,
  • Przemysław Biliński,
  • Krzysztof Gieburowski,
  • Wojciech Kłapeć,
  • Barbara Tymczyna-Borowicz,
  • Michał Łobacz,
  • Jarosław Pawlicz and
  • Andrzej Kuczumow
  • + 4 authors

Apatites are very important compounds of mineralogical and biological meaning. Apatites originated from the calcium hydroxy compound 3Ca3(PO4)2·Ca(OH)2 and potentially might form three series of isomorphic salts, derived from cationic substitu...

  • Article
  • Open Access
17 Citations
2,710 Views
27 Pages

Physical Fundamentals of Biomaterials Surface Electrical Functionalization

  • Karlis Baltacis,
  • Vladimir Bystrov,
  • Anna Bystrova,
  • Yuri Dekhtyar,
  • Talivaldis Freivalds,
  • Jan Raines,
  • Krista Rozenberga,
  • Hermanis Sorokins and
  • Martins Zeidaks

14 October 2020

This article is focusing on electrical functionalization of biomaterial’s surface to enhance its biocompatibility. It is an overview of previously unpublished results from a series of experiments concerning the effects surface electrical functi...

  • Article
  • Open Access
16 Citations
3,421 Views
18 Pages

Effect of Precursor Deficiency Induced Ca/P Ratio on Antibacterial and Osteoblast Adhesion Properties of Ag-Incorporated Hydroxyapatite: Reducing Ag Toxicity

  • Ozkan Gokcekaya,
  • Celaletdin Ergun,
  • Thomas J. Webster,
  • Abdurrahman Bahadir,
  • Kyosuke Ueda,
  • Takayuki Narushima and
  • Takayoshi Nakano

8 June 2021

Ag-containing hydroxyapatite (HA) can reduce risks associated with bacterial infections which may eventually require additional surgical operations to retrieve a failed implant. The biological properties of HA in such applications are strongly affect...

  • Article
  • Open Access
915 Views
16 Pages

17 July 2025

The efficient depolymerization of lignin has become a key challenge in the preparation of high-value-added chemicals. Graphitic carbon nitride (g-C3N4)-based photocatalytic system shows potential due to its mild and green characteristics over other d...

  • Article
  • Open Access
28 Citations
5,278 Views
15 Pages

Orange/Red Photoluminescence Enhancement Upon SF6 Plasma Treatment of Vertically Aligned ZnO Nanorods

  • Amine Achour,
  • Mohammad Islam,
  • Sorin Vizireanu,
  • Iftikhar Ahmad,
  • Muhammad Aftab Akram,
  • Khalid Saeed,
  • Gheorghe Dinescu and
  • Jean-Jacques Pireaux

Although the origin and possible mechanisms for green and yellow emission from different zinc oxide (ZnO) forms have been extensively investigated, the same for red/orange PL emission from ZnO nanorods (nR) remains largely unaddressed. In this work,...

  • Article
  • Open Access
11 Citations
5,340 Views
19 Pages

22 July 2020

The Laodou gold deposit, located in the West Qinling Orogen of central China, is a newly recognized intrusion-related gold deposit. It consists of auriferous quartz-sulfide-tourmaline and minor quartz-stibnite veins that are structurally controlled b...

  • Article
  • Open Access
34 Citations
3,380 Views
17 Pages

Green Synthesis of NiO-SnO2 Nanocomposite and Effect of Calcination Temperature on Its Physicochemical Properties: Impact on the Photocatalytic Degradation of Methyl Orange

  • Sirajul Haq,
  • Anum Sarfraz,
  • Farid Menaa,
  • Nadia Shahzad,
  • Salah Ud Din,
  • Hanadi A. Almukhlifi,
  • Sohad A. Alshareef,
  • Ethar M. Al Essa and
  • Muhammad Imran Shahzad

1 December 2022

Background: Nickel stannate nanocomposites could be useful for removing organic and toxic water pollutants, such as methyl orange (MO). Aim: The synthesis of a nickel oxide–tin oxide nanocomposite (NiO-SnO2 NC) via a facile and economically via...