TY - JOUR
T1 - A Simple Explanation on The Nobility of Gold Comparing to Other Metals
T2 - A First-Principles Study
AU - Kristianto, Eduardus O.
AU - Masan, Samuel E.P.P.
AU - Prabowo, Wahyu A.E.
AU - Rusydi, Febdian
AU - Iqbal, Muhammad
AU - Irzaman,
AU - Nugroho, Widagdo S.
N1 - Publisher Copyright:
© 2022. UTHM Publisher. All rights reserved.
PY - 2022
Y1 - 2022
N2 - We evaluate the reactivity of the Au surface towards H2 and compared the reactivity with Ag, Cu, and Pt surfaces. The reactivity is represented by the H2 dissociation energy over each surface. Their dissociation energies were calculated based on DFT calculation with PBE functional and PAW pseudopotential. The calculation results show that the Pt surface is the most reactive, followed by the Cu, Ag, and Au surfaces. The PDOS illustrates the d-band center is above Fermi level only on the Pt surface which indicates that it is the most reactive towards H2. The adsorbate charge shows that Cu donates the most electrons, trailed by Ag and Au. This study concludes that Au surface is the most inert among the other three metals. This inertness is a characteristic that defines a noble metal.
AB - We evaluate the reactivity of the Au surface towards H2 and compared the reactivity with Ag, Cu, and Pt surfaces. The reactivity is represented by the H2 dissociation energy over each surface. Their dissociation energies were calculated based on DFT calculation with PBE functional and PAW pseudopotential. The calculation results show that the Pt surface is the most reactive, followed by the Cu, Ag, and Au surfaces. The PDOS illustrates the d-band center is above Fermi level only on the Pt surface which indicates that it is the most reactive towards H2. The adsorbate charge shows that Cu donates the most electrons, trailed by Ag and Au. This study concludes that Au surface is the most inert among the other three metals. This inertness is a characteristic that defines a noble metal.
KW - Adsorption energy
KW - D-band center
KW - Density functional theory
KW - Electron donation
KW - Molecule–surface interaction
KW - Noble metal
KW - Transition metal reactivity
UR - http://www.scopus.com/inward/record.url?scp=85132237333&partnerID=8YFLogxK
U2 - 10.30880/ijie.2022.14.02.016
DO - 10.30880/ijie.2022.14.02.016
M3 - Article
AN - SCOPUS:85132237333
SN - 2229-838X
VL - 14
SP - 115
EP - 120
JO - International Journal of Integrated Engineering
JF - International Journal of Integrated Engineering
IS - 2
ER -