Ab initio molecular dynamics simulation of Nd3+ incorporation in calcite-Reference-Cited by-同舟云学术

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Ab initio molecular dynamics simulation of Nd3+ incorporation in calcite

Published:2020-02 Issue: Volume:534 Page:119460
ISSN:0009-2541
Container-title:Chemical Geology
language:en
Short-container-title:Chemical Geology

Author:

Kerisit Sebastien N.^ORCID,Prange Micah P.

Funder

U.S. Department of Energy

Office of Science

Basic Energy Sciences

Chemical Sciences, Geosciences, and Biosciences Division

Pacific Northwest National Laboratory

Publisher

Elsevier BV

Subject

Geochemistry and Petrology,Geology

Reference52 articles.

1. Toward reliable density functional methods without adjustable parameters: the PBE0 model;Adamo;J. Chem. Phys.,1999

2. Rare earth elements and neodymium isotopes in world river sediments revisited;Bayon;Geochim. Cosmochim. Acta,2015

3. Projector augmented-wave method;Blöchl;Phys. Rev. B,1994

4. Solid solutions of trace Eu(III) in calcite: thermodynamic evaluation of experimental data over a wide range of pH and pCO2;Curti;Geochim. Cosmochim. Acta,2005

5. Crystallization by particle attachment in synthetic, biogenic, and geologic environments;De Yoreo;Science,2015

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Ni and Co Incorporation in Forsterite: A Density Functional Theory Study with Hubbard Correction;ACS Earth and Space Chemistry;2024-04-17

2. Structural water in amorphous carbonate minerals: ab initio molecular dynamics simulations of X-ray pair distribution experiments;Physical Chemistry Chemical Physics;2023

3. Synthesis and optical absorption properties of nanocrystalline rare earth hexaborides Nd_1–_xEu_xB₆ powders;Acta Physica Sinica;2021

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