scholarly journals Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study

2020 ◽  
Vol 22 (4) ◽  
pp. 2540-2548 ◽  
Author(s):  
Fikret Aydin ◽  
Cheng Zhan ◽  
Cody Ritt ◽  
Razi Epsztein ◽  
Menachem Elimelech ◽  
...  
Keyword(s):  
Liquid Water ◽  
First Principles ◽  
Emerging Technologies ◽  
Water Desalination ◽  
Ion Solvation ◽  
Ammonium Ions ◽  
First Principles Study ◽  
Similarities And Differences

Understanding ion solvation in liquid water is critical in optimizing materials for a wide variety of emerging technologies, including water desalination and purification.

First-principles study of ammonium ions and their hydration in montmorillonites

2013 ◽  
Vol 19 (4) ◽  
pp. 1875-1881 ◽  
Author(s):  
Jing Shi ◽  
Houbin Liu ◽  
Yingfeng Meng ◽  
Zhaoyang Lou ◽  
Qun Zeng ◽  
...  
Keyword(s):  
First Principles ◽  
Ammonium Ions ◽  
First Principles Study

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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