Researchers have discovered how neighboring adsorbates and quantum tunneling influence the movement of hydrogen atoms on surfaces.
In a groundbreaking study led by Prof. YANG Yong from the Hefei Institutes of Physical Science (HFIPS) at the Chinese Academy of Sciences (CAS), the role of neighboring adsorbates and quantum tunneling in the surface diffusion of hydrogen atoms has been unveiled. This research sheds light on the intricate dynamics of hydrogen atoms on graphene surfaces, introducing possibilities for ultra-high precision measurements based on atomic systems and potentially enabling investigations into the existence of a minimum length.
Hydrogen, being the lightest element, exhibits quantum motions known as nuclear quantum effects (NQEs) during its dynamical processes. Prof. Yang's team has demonstrated the significant impact of quantum tunneling on the activation of dissociation and diffusion processes of hydrogen on copper surfaces. On graphene surfaces, hydrogen displays varying aggregation states based on coverage levels.
To delve into the diffusion of hydrogen in different aggregation states on graphene surfaces, the researchers employed first-principles calculations in combination with the transfer matrix method. They delved into the quantum tunneling effects on hydrogen diffusion by computing transmission probabilities, rate constants, and diffusion coefficients while considering hydrogen atoms both as classical and quantum particles.
The adsorption of hydrogen atoms on neighboring adsorption sites was identified as a factor that notably alters the kinetic properties of diffusing hydrogen atoms on graphene surfaces. The interaction between neighboring hydrogen atoms emerges as a crucial element leading to variations in the diffusion barrier height. In exploring the diffusion of hydrogen atoms in diverse aggregation states, the comparison between diffusion probability, reaction rate constant, and diffusion coefficient of hydrogen as classical and quantum particles underscored the pivotal role played by quantum tunneling in diffusion processes, particularly at room temperature and below. Even at higher temperatures around 600 K, the contribution of quantum tunneling remains significant.
Prof. Yang Yong remarked, "Our findings offer fresh insights into understanding the diffusion dynamics of hydrogen atoms on graphene surfaces."
Through this research, a deeper understanding of the behavior of hydrogen atoms at the atomic level has been achieved, with implications for advancements in precision measurements and potential implications for probing fundamental aspects of quantum mechanics. The study not only contributes to the field of surface diffusion but also opens avenues for exploring the quantum realm in atomic systems.
This research represents a significant step forward in the field of physical chemistry, shedding light on the intricate interplay between quantum phenomena and surface diffusion processes. The findings pave the way for further investigations into the behavior of hydrogen atoms on surfaces, with potential applications in diverse scientific disciplines.
Source: https://www.eurekalert.org/news-releases/1036888
Hydrogen, being the lightest element, exhibits quantum motions known as nuclear quantum effects (NQEs) during its dynamical processes. Prof. Yang's team has demonstrated the significant impact of quantum tunneling on the activation of dissociation and diffusion processes of hydrogen on copper surfaces. On graphene surfaces, hydrogen displays varying aggregation states based on coverage levels.
To delve into the diffusion of hydrogen in different aggregation states on graphene surfaces, the researchers employed first-principles calculations in combination with the transfer matrix method. They delved into the quantum tunneling effects on hydrogen diffusion by computing transmission probabilities, rate constants, and diffusion coefficients while considering hydrogen atoms both as classical and quantum particles.
The adsorption of hydrogen atoms on neighboring adsorption sites was identified as a factor that notably alters the kinetic properties of diffusing hydrogen atoms on graphene surfaces. The interaction between neighboring hydrogen atoms emerges as a crucial element leading to variations in the diffusion barrier height. In exploring the diffusion of hydrogen atoms in diverse aggregation states, the comparison between diffusion probability, reaction rate constant, and diffusion coefficient of hydrogen as classical and quantum particles underscored the pivotal role played by quantum tunneling in diffusion processes, particularly at room temperature and below. Even at higher temperatures around 600 K, the contribution of quantum tunneling remains significant.
Prof. Yang Yong remarked, "Our findings offer fresh insights into understanding the diffusion dynamics of hydrogen atoms on graphene surfaces."
Through this research, a deeper understanding of the behavior of hydrogen atoms at the atomic level has been achieved, with implications for advancements in precision measurements and potential implications for probing fundamental aspects of quantum mechanics. The study not only contributes to the field of surface diffusion but also opens avenues for exploring the quantum realm in atomic systems.
This research represents a significant step forward in the field of physical chemistry, shedding light on the intricate interplay between quantum phenomena and surface diffusion processes. The findings pave the way for further investigations into the behavior of hydrogen atoms on surfaces, with potential applications in diverse scientific disciplines.
Source: https://www.eurekalert.org/news-releases/1036888
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