Probing the exact form and doping preference of magnesium in ordinary Portland cement clinker phases: A study from experiments and DFT simulations

Cu2+ doped β-tricalcium phosphate: Solid solution limit and crystallographic characterization by rietveld refinement

(2020) Karla Spaeth et al.   JOURNAL OF SOLID STATE CHEMISTRY

Predicting Hydration Reactivity of Cu-Doped Clinker Crystals by Capturing Electronic Structure Modification

(2019) Yong Tao et al.   ACS Sustainable Chemistry & Engineering

Application of first-principles theory in ferrite phases of cemented paste backfill

(2019) Chongchong Qi et al.   MINERALS ENGINEERING

Understanding the zinc incorporation into silicate clinker during waste co-disposal of cement kiln: A density functional theory study

(2019) Yong Tao et al.   JOURNAL OF CLEANER PRODUCTION

Electronic and elastic properties of brownmillerite

(2019) Xabier M Aretxabaleta et al.   Materials Research Express

Comprehending the occupying preference of manganese substitution in crystalline cement clinker phases: A theoretical study

(2018) Yong Tao et al.   CEMENT AND CONCRETE RESEARCH

Eco-efficient cements: Potential economically viable solutions for a low-CO 2 cement-based materials industry

(2018) Karen L. Scrivener et al.   CEMENT AND CONCRETE RESEARCH

Research on the formation of M1-type alite doped with MgO and SO 3 —A route to improve the quality of cement clinker with a high content of MgO

(2018) Hao Zhou et al.   CONSTRUCTION AND BUILDING MATERIALS

An insight into the influence of crystallite size on the performances of microsized spherical Li(Ni0.5Co0.2Mn0.3)O2 cathode material composed of aggregated nanosized particles

(2018) Guangxin Fan et al.   JOURNAL OF NANOPARTICLE RESEARCH

Fundamental principles that govern the copper doping behavior in complex clinker system

(2018) Yong Tao et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Persian Liquorice extract as a highly efficient sustainable corrosion inhibitor for mild steel in sodium chloride solution

(2018) E. Alibakhshi et al.   JOURNAL OF CLEANER PRODUCTION

Misfit Stresses Caused by Atomic Size Mismatch: The Origin of Doping-Induced Destabilization of Dicalcium Silicate

(2016) Peng Guo et al.   CRYSTAL GROWTH & DESIGN

Nature of Interatomic Bonding in Controlling the Mechanical Properties of Calcium Silicate Hydrates

(2016) Chamila Dharmawardhana et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate

(2015) Jian Huang et al.   Journal of Physical Chemistry C

Predicting Electronic Structure in Tricalcium Silicate Phases with Impurities Using First-Principles

(2015) Kayahan Saritas et al.   Journal of Physical Chemistry C

The reconstructed edges of the hexagonal BN

(2015) Ruiqi Zhao et al.   Nanoscale

Relation between reactivity and electronic structure for α′L-, β- and γ-dicalcium silicate: A first-principles study

(2014) Qianqian Wang et al.   CEMENT AND CONCRETE RESEARCH

Influence of (Al, Fe, Mg) Impurities on Triclinic Ca3SiO5: Interpretations from DFT Calculations

(2014) Jian Huang et al.   CRYSTAL GROWTH & DESIGN

Green cement: Concrete solutions

(2013) Ivan Amato   NATURE

Densification of a continuous random network model of amorphous SiO2glass

(2013) Neng Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reactive belite stabilization mechanisms by boron-bearing dopants

(2012) Ana Cuesta et al.   CEMENT AND CONCRETE RESEARCH

Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles

(2012) E. Durgun et al.   CHEMISTRY OF MATERIALS

Use of clay as a cement replacement in mortar and its chemical activation to reduce the cost and emission of greenhouse gases

(2012) Noor-ul-Amin   CONSTRUCTION AND BUILDING MATERIALS

Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations

(2011) Hegoi Manzano et al.   CRYSTAL GROWTH & DESIGN

Crystal structure of low magnesium-content alite: Application to Rietveld quantitative phase analysis

(2008) Ángeles G. De la Torre et al.   CEMENT AND CONCRETE RESEARCH