The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Andrea Casale; Angelo Esposito; Guido Menichetti; Valentina Tozzini

doi:10.3390/universe11090297

Paper details

Research paper

Computational DFTComputational AimdTheoretical

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Andrea Casale, Angelo Esposito, Guido Menichetti, Valentina Tozzini

arXiv·2026·10.3390/universe11090297·arXiv:2504.13259

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

4 properties

SimulatedCStudied MaterialTStudied Material

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

1 property

SimulatedCStudied MaterialTStudied Material

Graphene with isolated tritium adsorption at low loading.

2 properties

SimulatedCStudied MaterialTStudied Material

Materials

graphene

Studied Material

Also known as

graphene sheet

studied material

tritium

Studied Material

Also known as

Why these are connected

Related documents with shared materials, methods, properties, or citations.

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Formation Energy Ev	binding energy magnitude	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	binding energy magnitude	0.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	1.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	magnetic stabilization energy	0.23eV/unit_cell	C T	Graphene with 50% tritium loading on a single side, with tri	—
Formation Energy Ev	desorption energy lower bound	0.7eV	C T	Graphene with isolated tritium adsorption at low loading.	—
Activation Energy Ev	desorption energy upper bound	5.3eV	C T	Graphene with isolated tritium adsorption at low loading.	—

Properties

Type	Label	Value	Material	Sample	Source
Formation Energy Ev	binding energy magnitude	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	binding energy magnitude	0.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	1.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	magnetic stabilization energy	0.23eV/unit_cell	C T	Graphene with 50% tritium loading on a single side, with tri	—
Formation Energy Ev	desorption energy lower bound	0.7eV	C T	Graphene with isolated tritium adsorption at low loading.	—
Activation Energy Ev	desorption energy upper bound	5.3eV	C T	Graphene with isolated tritium adsorption at low loading.	—

Properties

Type	Label	Value	Material	Sample	Source
Formation Energy Ev	binding energy magnitude	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	binding energy magnitude	0.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	1.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	magnetic stabilization energy	0.23eV/unit_cell	C T	Graphene with 50% tritium loading on a single side, with tri	—
Formation Energy Ev	desorption energy lower bound	0.7eV	C T	Graphene with isolated tritium adsorption at low loading.	—
Activation Energy Ev	desorption energy upper bound	5.3eV	C T	Graphene with isolated tritium adsorption at low loading.	—

Properties

Type	Label	Value	Material	Sample	Source
Formation Energy Ev	binding energy magnitude	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	binding energy magnitude	0.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	4.3eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Activation Energy Ev	desorption energy	1.5eV	C T	Graphene with 100% tritium loading in the chair conformation	—
Formation Energy Ev	magnetic stabilization energy	0.23eV/unit_cell	C T	Graphene with 50% tritium loading on a single side, with tri	—
Formation Energy Ev	desorption energy lower bound	0.7eV	C T	Graphene with isolated tritium adsorption at low loading.	—
Activation Energy Ev	desorption energy upper bound	5.3eV	C T	Graphene with isolated tritium adsorption at low loading.	—

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

The β-decay spectrum of Tritiated graphene: combining nuclear quantum mechanics with Density Functional Theory

Samples

Graphene with 100% tritium loading in the chair conformation, with alternate sublattices occupied on opposite sides of the sheet.

Graphene with 50% tritium loading on a single side, with tritium atoms occupying alternate sites.

Graphene with isolated tritium adsorption at low loading.

Materials

Why these are connected

Properties

Simulations

Properties

Simulations

Properties

Simulations

Properties

Simulations